Bereich Biospektroskopie

Nummer/ numberTitelAutoren / authorsZeitschrift / magazinJahr/ yearDOILink
263Amyloid-beta misfolding and GFAP predict risk of clinical Alzheimer’s disease diagnosis within 17 yearsBeyer, L., Stocker, H., Rujescu, D., Holleczek, B., Stockmann, J., Nabers, A., Brenner, H., Gerwert, K.Alzheimer & Dementia202210.1002/alz.12745PDF
262Association of plasmabiomarkers, p-tau181, glial fibrillary acidic protein, and neurofilament light, with intermediate and long-term clinical Alzheimer's disease risk: Results from a prospective cohort followed over 17 yearsStocker, H., Beyer, L., Perna, L., Rujescu, D., Holleczek, B., Beyreuther, K., Stockmann, J., Schöttker1, B., Gerwert, K., Brenner, H.Alzheimer & Dementia202210.1002/alz.12614PDF
261A Framework for Falsifiable Explanations of Machine Learning Models with an Application in Computational PathologySchuhmacher, D., Schoerner, S., Kuepper, C., Grosserueschkamp, F., Sternemann, C., Lugnier, C., Kraeft, A.-L., Juette, H., Tannapfel, A., Reinacher-Schick, A., Gerwert, K., Mosig, A.medRxiv202110.1101/2021.11.01.21265738PDF
260Diagnostics and Therapy Assessment Using Label-Free Raman ImagingEl-Mashtoly, S.F., Gerwert, K.Analytical Chemistry202110.1021/acs.analchem.1c04483PDF
259Aß misfolding in blood plasma is inversely associated with body mass index even in middle adulthoodMöllers, T., Stocker, H., Perna, L., Nabers, A., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's research & therapy202113 (1) 1-910.1186/s13195-021-00889-2PDF
258Correction to: Amyloid-ß misfolding as a plasma biomarker indicates risk for future clinical Alzheimer’s disease in individuals with subjective cognitive declineStockmann, J., Verberk, I.M.W., Timmesfeld, N., Denz, R., Budde, B., Lange-Leifhelm, J., Scheltens, P., van der Flier, W.M., Nabers, A., Teunissen, C.E., Gerwert, K.Alzheimer's Research & Therapy202113 (1), 1-310.1186/s13195-021-00770-2PDF
257Shape decomposition algorithms for laser capture microdissectionSelbach, L., Kowalski, T,, Gerwert, K., Buchin, M., Mosig, A.Algorithms for Molecular Biology202116, 1-1710.1186/s13015-021-00193-6PDF
256End-to-end Multiple Instance Learning for Whole-Slide Cytopathology of Urothelial CarcinomaButke, J., Frick, T., Roghmann, F., El-Mashtoli, S.F., Gerwert, K., Mosig, A.MICCAI Workshop on Computational Pathology202157-68PDF
255Automated detection of microsatellite status in early colon cancer (CC) using artificial intelligence (AI) integrated infrared (IR) imaging on unstained samples from the AIO ColoPredictPlus 2.0 (CPP) registry studyGroßerueschkamp, F., Schörner, S.M., Kraeft, A.-L., Schuhmacher, D., Sternemann, C., Jütte, H., Feder, I., Wisser, S., Lugnier, C., Overheu, O., Arnold, D., Teschendorf, C., Mueller, L., Uhl, W., Timmesfeld, N., Mosig, A., Reinacher-Schick, A., Gerwert, K., Tannapfel, A.Annals of Oncology202132, S531-S53210.1016/j.annonc.2021.08.907PDF
254Advances in digital pathology: from artificial intelligence to label-free imagingGroßerueschkamp, F., Jütte, H., Gerwert, K., Tannapfel, A.Visceral Medicine202137, 482-49010.1159/000518494PDF
253The association between plasma biomarkers, p-tau181, glial fibrillary acidic protein, and neurofilament light and clinical AD risk: results from prospective cohort study followed over 17 yearsStocker, H., Beyer, L., Perna, L., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's Association International Conference2021
252The subcellular arrangement of alpha-synuclein proteoforms in the Parkinson's disease brain as revealed by multicolor STED microscopyMoors, T.E., Maat, C.A., Niedieker, D., Mona, D., Petersen, D., Timmermans-Huisman, E., Kole, J., El-Mashtoly, S.F., Spycher, L., Zago, W., Barbour, R., Mundigl, O., Kaluza, K., Huber, S., Hug, M.N., Kremer, T., Ritter, M., Dziadek, S., Geurts, J.J.G., Gerwert, K., Britschgi, M., van de Berg, W.D.J.Acta Neuropathologica202110.1007/s00401-021-02329-9PDF
251Quantum Cascade Laser-Based Infrared Imaging as a Label-Free and Automated Approach to Determine Mutations in Lung AdenocarcinomaGoertzen, N., Pappesch, R., Fassunke, J., Brüning, T., Ko, Y.-D., Schmidt, J., Großerueschkamp, F., Buettner, R., Gerwert, K.The American Journal of Pathology2021Volume 191, Issue 7, 1269-128010.1016/j.ajpath.2021.04.013PDF
250Time-resolved spectroscopic andelectrophysiological data reveal insights in thegating mechanism of anion channelrhodopsinDreier, M.-A., Althoff, P., Norahan, M.J., Tennigkeit, S.A., El-Mashtoly, S.F., Lübben, M., Kötting, C., Rudack, T., Gerwert, K.Communications Biology20214, 57810.1038/s42003-021-02101-5PDF
249Genetic predisposition, Aß misfolding in blood plasma, and Alzheimer’s diseaseStocker, H., Nabers, A., Perna, L., Möllers, T., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Stockmann, J., Gerwert, K., Brenner, H.Translational psychiatry202111 (1), 1-11, 6779-678310.1038/s41398-021-01380-0/PDF
248Microsecond-Resolved Infrared Spectroscopy on Nonrepetitive Protein Reactions by Applying Caged Compounds and Quantum Cascade Laser Frequency CombsNorahan, M.J., Horvath, R., Woitzik, N., Jouy, P., Eigenmann, F., Gerwert, K., Kötting, C.Analytical Chemistry202110.1021/acs.analchem.1c00666/PDF
247A representation learning approach for recovering scatter?corrected spectra from Fourier?transform infrared spectra of tissue samplesRaulf, A.P., Butke, J., Menzen, L., Küpper, C., Großerueschkamp, F., Gerwert, K., Mosig, A.Journal of Biophotonics2021(14) 310.1002/jbio.202000385PDF
246A Framework for Falsifiable Explanations of Machine Learning Models with an Application in Computational PathologySchuhmacher, D., Schörner, S., Küupper, C., Großerueschkamp, F., Sternemann, C., Lugnier, C., Kraeft, A.-L., Jütte, H., Tannapfel, A., Reinacher-Schick, A., Gerwert, K., Mosig, A.redRxiv2021PDF
245Application of Label-Free Proteomics for Quantitative Analysis of Urothelial Carcinoma and Cystitis TissueWitzke, K. E., Großerueschkamp, F., Gerwert, K., Sitek, B.Methods in Molecular Biology (Clifton, NJ) 2228, 283-2922021PDF
244The Ras Dimer StructureRudack, T., Teuber, C., Scherlo, M., Güldenhaupt, J., Schartner, J., Lübben, M., Klare, J.P., Gerwert, K., Kötting, C.Chemical Science202112, 8178 - 818910.1039/D1SC00957EPDF
243Aß misfolding in blood plasma measured by immuno-infrared-sensor as an age-independent risk marker of Alzheimer's diseaseMöllers, T., Stocker, H., Perna, L., Nabers, A., Rujescu, D., Hartmann, A.M., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's Dement.202113:e1215110.1002/dad2.12151PDF
242TDP-43 as structure-based biomarker in amyotrophic lateral sclerosisBeyer, L., Günther, R., Koch, J.C., Klebe, S., Hagenacker, T., Lingor, P., Biesalski, A.-S., Hermann, A., Nabers, A., Gold, R., Lönges, L., Gerwert, K.Annals of Clinical and Translational Neurology20218 (1), 271-27710.1002/acn3.51256PDF
241Amyloid-ß misfolding as a plasma biomarker indicates risk for future clinical Alzheimer’s disease in individuals with subjective cognitive declineStockmann, J., Verberk, I.M.W., Timmesfeld, N., Denz, R., Budde, B., Lange-Leifhelm, J., Scheltens, P., van der Flier, W., Nabers, A., Teunissen, C.E., Gerwert, K.Alzheimer's Research & Therapy202010.1186/s13195-020-00738-8PDF
240Label-free vibrational imaging of different Aß plaque types in Alzheimer’s disease reveals sequential events in plaque developmentRöhr, D., Boon, B.D.C., Schuler, M., Kremer, K., Hoozemans, J.J.M., Bouwman, F.H., El-Mashtoly, S.F., Nabers, A., Groserueschkamp, F., Rozemuller, A.M.J., Gerwert, K.Acta Neuropathol Commun202010.1186/s40478-020-01091-5PDF
239TDP-43 as structure-based biomarker in amyotrophic lateral sclerosisBeyer, L., Günther, R., Koch, J.C., Klebe, S., Hagenacker, T., Lingor, P., Biesalski, A.-S., Hermann, A., Nabers, A., Gold, R., Tönges, L., Gerwert, K.Annals of Clinical and Translational Neurology202010.1002/acn3.51256PDF
238Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory StudyGuo, S., Beleites, C., Neugebauer, U., Abalde-Cela, S., Afseth, N.K., Alsamad, F., Anand, S., Araujo-Andrade, C., Askrabic, S., Avci, E., Baia, M., Baranska, M., Baria, E., de Carvalho, L.A.E.B., de Bettignies, P., Bonifacio, A., Bonnier, F., Brauchle, E.M., Byrne, H.J., Chourpa, I., Cicchi, R., Cuisinier, F., Culha, M., Dahms, M., David, C., Duponchel, L., Duraipandian, S., El-Mashtoly, S.F., Ellis, D.I., Eppe, G., Falgayrac, G., Gamulin, O., Gardner, B., Gardner, P., Gerwert, K., Giamarellos-Bourboulis, E.J., Gizurarson, S., Gnyba, M., Goodacre, R., Grysan, P., Guntinas-Lichius, O., Helgadottir, H., Grosev, V.M., Kendall, C., Kiselev, R., Kölbach, M., Krafft, C., Krishnamoorthy, S., Kubryck, P., Lendl, B., Loza-Alvarez, P., Lyng, F.M., Machill, S., Malherbe, C., Marro, M., Marques, M.P.M., Matuszyk, E., Morasso, C.F., Moreau, M., Muhamadali, H., Mussi, V., Notingher, I., Pacia, M.Z., Pavone, F.S., Penel, G., Petersen, D., Piot, O., Rau, J.V., Richter, M., Rybarczyk, M.K., Salehi, H., Schenke-Layland, K., Schlücker, S., Schosserer, M., Schütze, K., Sergo, V., Sinjab, F., Smulko, J., Sockalingum, G.D., Stiebing, C., Stone, N., Untereiner, V., Vanna, R., Wieland, K., Popp, J., Bocklitz, T.Anal. Chem.202010.1021/acs.analchem.0c02696PDF
237Shape Decomposition Algorithms for LaserCapture MicrodissectionSelbach, L., Kowalski, T., Gerwert, K., Buchin, M., Mosig, A.20th International Workshop on Algorithms in Bioinformatics (WABI 2020)202010.4230/LIPIcs.WABI.2020.13PDF
236The Effect of (-)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary StructureAcharya, A., Stockmann, J., Beyer, L., Rudack, T., Nabers, A., Gumbart, J.C., Gerwert, K., Batista, V.S.Biophys J.202010.1016/j.bpj.2020.05.033+PDF
235Label-free, automated classification of microsatellite status in colorectal cancer by infrared imagingKallenbach-Thieltges, A., Großerüschkamp, F., Jütte, H., Kuepper, C., Reinacher-Schick, A., Tannapfel, A., Gerwert, K.Scientific Reports202010: 1016110.1038/s41598-020-67052-zPDF
234Struktur-Biomarker zur Früherkennung von Morbus AlzheimerStockmann, J., Gerwert, K.Biospektrum202003/2020 (26) 259-261 (2020), DOI: 10.1007/s12268-020-1381-710.1007/s12268-020-1381-7PDF
233Grayscale representation of infrared microscopy images by extended multiplicative signal correction for registration with histological imagesTrukhan, S., Tafintseva, V., Tøndel, K., Großerüschkamp, F, Mosig, A., Kovalev, V., Gerwert, K., Kohler, A.J. Biophotonics.202013:e20196022310.1038/s41598-020-67052-zPDF
232Toward noninvasive follow-up of low-risk bladder cancer--Rationale and concept of the UroFollow trialBenderska-Söder, N., Hovanec, J., Pesch, B., Goebell, P. J., Roghmann, F., Noldus, J., Rabinovich, J., Wichert, K., Gleichenhagen, J., Käfferlein, H. U., Köhler, C. U., Johnen, G., Kernig, K., Hakenberg, O., Jahn, D., Todenhöfer, T., Stenzl, A., Gleissner, J., Gerwert, K., El-Mashtoly, S., Behrens, T., Brüning, T., Schmitz-Dräger, B. J.Urologic Oncology2020
231Lamprey Parapinopsin ("UVLamP"): a Bistable UV-Sensitive Optogenetic Switch for Ultrafast Control of GPCR PathwaysEickelbeck, D., Rudack, T., Tennigkeit, S.A., Surdin, T., Karapinar, R., Schwitalla, J.-C., Mücher, B., Shulman, M., Scherlo, M., Althoff, P., Mark, M.D., Gerwert, K., Herlitze, S.ChemBioChem202021: 612-617
230Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics SimulationsWolf, S., Amaral, M., Lowinski, M., Vallée, F., Musil, D., Güldenhaupt, J., Dreyer, M.K., Bomke, J., Frech, M., Schlitter, J., Gerwert, K.Journal of Chemical Information and Modeling201959: 5135-5147
229Label-Free Molecular Fingerprint-Based CytopathologyEl-Mashtoly, S.F., Gerwert, K.GIT Imaging & Microscopy201921: 3/2019, 23–25PDF
228Prediction of Alzheimer's disease diagnosis within 14 years through Aß misfolding in blood plasma compared to APOE4 status, and other risk factors.Stocker, H., Nabers, A., Perna, L., Möllers, T., Rujescu, D., Hartmann, A., Holleczek, B., Schöttker, B., Gerwert, K., Brenner, H.Alzheimer's & Dementia201916: 283-291
227High-content screening Raman spectroscopy (HCS-RS) of panitumumab-exposed colorectal cancer cellsMondol, A.S., El-Mashtoly, S.F., Frick, T., Gerwert, K., Poppa, J., Schie, I.W.Analyst2019144: 6098-6107
226Fast Non-invasive Diagnosis of Cervical Cancer by Coherent anti-Stokes Raman ScatteringAljakouch, K., Hilal, Z., Daho, I., Schuler, M., Krauß, S.D., Yosef, H.K., Dierks, J., Mosig, A., Gerwert, K., El-Mashtoly, S.F.Analytical Chemistry201991: 13900−13906
225Reversible Immuno-Infrared Sensor for the Detection of Alzheimer's Disease Related BiomarkersBudde, B., Schartner, J., Tönges, L., Kötting, C., Nabers, A., Gerwert, K.ACS Sensors20194: 1851-1856
224GTP Hydrolysis Without an Active Site Base: A Unifying Mechanism for Ras and Related GTPasesCalixto, A.R., Moreira, C., Pabis, A., Kötting, C., Gerwert, K., Rudack, T., Kamerlin, S.C.L.Journal of the American Chemical Society (JACS)2019141: 10684-10701
223Comparison of the molecular properties of retinitis pigmentosa P23H and N15S amino acid replacements in rhodopsinMitchell, J., Balem, F., Tirupula, K., Man, D., Dhiman, H.K., Yanamala, N., Ollesch, J., Planas-Iglesias, J., Jennings, B.J., Gerwert, K., Iannaccone, A., Klein-Seetharaman, J.PLoS ONE201914(5): e0214639
222Lewy pathology in Parkinson's disease consists of crowded organelles and lipid membranes.Shahmoradian, S.H., Lewis, A.J., Genoud, C., Hench, J., Moors, T.E., Navarro, P.P., Castaño-Díez, D., Schweighauser, G., Graff-Meyer, A., Goldie, K.N., Sütterlin, R.,Huisman, E., Ingrassia, A., de Gier, Y., Rozemuller, A.J.M., Wang, J., De Paepe, A., Erny J., Staempfli, A., Hoernschemeyer, J., Großerüschkamp, F., Niedieker, D., El-Mashtoly, S.F., Quadri, M., Van IJcken, W.F.J., Bonifati, V., Gerwert, K., Bohrmann, B., Frank, S., Britschgi, M., Stahlberg, H., Van de Berg, W.D.J., Lauer, M.E.Nature Neuroscience201922: 1099–1109
221Deep representation learning for domain adaptable classification of infrared spectral imaging data.Raulf, A.P., Butke J., Küpper, C., Großerüschkamp, F., Gerwert, K., Mosig, A.Bioinformatics201936: 287-294
220Unifying photocycle model for light adaptation and temporal evolution of cation conductance in channelrhodopsin-2.Kuhne, J., Vierock, J., Tennigkeit, S.A., Dreier, M.-A., Wietek, J., Petersen, D., Gavriljuk, K., El-Mashtoly, S.F., Hegemann, P., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2019116: 9380-9389
219An open-source code for Mie extinction extended multiplicative signal correction for infrared microscopy spectra of cells and tissues.Solheim, J.H., Gunko, E., Petersen, D., Großerüschkamp, F., Gerwert, K., Kohler, A.Journal of Biophotonics201912: e201800415
218Aß and tau structure-based biomarkers for a blood- and CSF-based two-step recruitment strategy to identify patients with dementia due to Alzheimer's diseaseNabers, A., Hafermann, H., Wiltfang, J., Gerwert, K.Alzheimer's & Dementia: Diagn., Assess. & Dis. Monit.201911: 257-263
217Design of an ultra-fast G protein switch based on a mouse melanopsin variantTennigkeit, S.A., Karapinar, R., Rudack, T., Dreier, M.-A., Althoff, P., Eickelbeck, D., Surdin, T., Grömmke, M., Mark, M.D., Spoida, K., Lübben, M., Höweler, U., Herlitze, S., Gerwert, K.ChemBioChem201920: 1766-1771
216Integrated Fourier Transform Infrared Imagingand Proteomics for Identification of a CandidateHistochemical Biomarker in Bladder CancerWitzke, K., Großerueschkamp, F., Jütte, H.,Horn, M., Roghmann, F., von Landenberg, N., Bracht, T., Kallenbach-Thieltges, A., Käfferlein, H., Brüning, T., Schork, K., Eisenacher, M., Marcus, K., Noldus, J., Tannapfel, A., Sitek, B., Gerwert, K.The American Journal of Pathology2019189: 619-631
215Tracking Pore Hydration in Channelrhodopsin by Site-Directed Infrared Active-Azido ProbesKrause, B.S., Kaufmann,J.C.D., Kuhne, J., Vierock, J., Huber, T., Sakmar, T.P., Gerwert, K., Bartl, F., Hegemann, P.Biochemistry201958:1275-1286
214FTIR Spectroscopy: A Comprehensive Biological InvestigatorMann, D., Köttig, C., Gerwert, K.BioPhotonics2018November/December 2018, 30-35PDF
213Label-free Digital PathologyGroßerüschkamp, F., Gerwert, K.GIT Laboratory Journal20185/2018:33-35PDF
212Exploring the efficacy and cellular uptake of sorafenib in colon cancer cells by Raman micro-spectroscopyYosef, H.K., Frick, T., Hammoud, M.K., Maghnouj, A., Hahn, S., Gerwert, K., El-Mashtoly, S.F.Analyst2018143: 6069-6078
211Raman micro-spectroscopy monitors acquired resistance to targeted cancer therapy at the cellular levelHammoud, M.K., Yosef, H.K., Lechtonen, T., Aljakouch, K., Schuler, M., Alsaidi, W., Daho, I., Maghnouj, A., Hahn, S., El-Mashtoly, S.F., Gerwert, K.Scientific Reports20188: 15278
210Monitoring transient events in infrared spectra using localmode analysisMassarczyk, M., Schlitter, J., Kötting, C., Rudack, T., Gerwert, K.Proteins201886, 1013–1019, DOI: 10.1002/prot.25536
209gZeitaufgelöst und markerfrei gemessene ligandeninduzierte Konformationsänderungen von HSP90 – hin zu einem Konformationsaktivitätsscreening für die WirkstoffentwicklungGüldenhaupt, J., Amaral, M., Kötting, C., Schartner, J., Musil, D., Frech, M., Gerwert, K.Angewandte Chemie201857: 10103-10108
209eLigand-induced conformational changes in HSP90 monitored time resolved and label free – towards a conformational activity screening for drug discoveryGüldenhaupt, J., Amaral, M., Kötting, C., Schartner, J., Musil, D., Frech, M., Gerwert, K.Angewandte Chemie International Edition201857: 9955-9960
208Hierarchical deep convolutional neural networks combine spectral and spatial information for highly accurate Raman-microscopy-based cytopathologyKrauß, S.D., Roy, R., Yosef, H.K., Lechtonen, T., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Journal of Biophotonics201811: e201800022
207Quantum Cascade Laser-Based Infrared Microscopy for Label-Free and Automated Cancer Classification in Tissue SectionsKuepper, C., Kallenbach-Thieltges, A., Juette, H., Tannapfel, A., Großerueschkamp, F., Gerwert, K.Scientific Reports20188: 7717
206Highly stable Protein Immobilization via Maleimido-Thiol Chemistry to Monitor Enzymatic ActivitySchartner, J., Güldenhaupt, J., Gaßmeyer, S.K., Rosga, K., Kourist, R., Gerwert, K., Kötting, C.Analyst2018143: 2276-2284
205Label-free identification of myopathological features with coherent anti-Stokes Raman scatteringNiedieker, D., Großerüschkamp, F., Schreiner, A., Barkovits, K., Kötting, C., Marcus, K., Gerwert, K., Vorgerd, M.Muscle Nerve201858: 456-459
204gRaman-mikrospektroskopischer Nachweis für den Metabolismus eines Tyrosinkinase-Inhibitors, Neratinib, in KrebszellenAljakouch, K., Lechtonen, T., Yosef, H.K., Hammoud, M.K., Alsaidi, W., Kötting, C., Mügge, C., Kourist, R., El-Mashtoly, S.F., Gerwert, K.Angewandte Chemie2018130: 7370-7374
204eRaman Microspectroscopic Evidence for the Metabolism of a Tyrosine Kinase Inhibitor, Neratinib, in Cancer CellsAljakouch, K., Lechtonen, T., Yosef, H.K., Hammoud, M.K., Alsaidi, W., Kötting, C., Mügge, C., Kourist, R., El-Mashtoly, S.F., Gerwert, K.Angewandte Chemie International Edition201857: 7250-7254
203Amyloid blood biomarker detects Alzheimer's diseaseNabers, A., Perna, L., Lange, J., Mons, U., Schartner, J., Güldenhaupt, J., Saum, K.-U., Janelidze, S., Holleczek, B., Rujescu, D., Hansson, O., Gerwert, K., Brenner, H.EMBO Molecular Medicine201810: e8763
202Specific Substates of Ras To Interact with GAPs and Effectors: Revealed by Theoretical Simulations and FTIR ExperimentsLi, Y., Zhang, Y., Groserüschkamp, F., Stephan, S., Cui, Q., Kötting, C., Xia, F., Gerwert, K.The Journal of Physical Chemistry Letters20189: 1312-1317
201The Protonation States of GTP and GppNHp in Ras ProteinsMann, D., Güldenhaupt, J., Schartner, J., Gerwert, K., Kötting, C.Journal of Biological Chemistry (JBC)2018293: 3871-3879
200Integrating spatial, morphological, and textural information for improved cell type differentiation using Raman microscopyKrauß, S.D., Yosef, H.K., Lechtonen, T., Jütte, H., Tannapfel, A., Käfferlein, H.U., Brüning, T., Roghmann, F., Noldus, J., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Journal of Chemometrics201732: e2973
199Channelrhodopsin reveals its dark secretsGerwert, K.Science2017358: 1000-1001
198Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR)Wolf, S., Jovancevic, N., Gelis, L., Pietsch, S., Hatt, H., Gerwert, K.Scientific Reports20177: 16007
197Lewy pathology in Parkinson's disease consists of a crowded organellar membranous medleyShahmoradian, S.H., Genoud, C., Graff-Meyer, A., Hench, J., Moors, T., Schweighauser, G., Wang, J., Goldie, K.N., Suetterlin, R., Castano-Diez, D., Perez-Navarro, P., Huisman, E., Ipsen, S., Ingrassia, A., de Gier, Y., Rozemuller, A.J.M., Da Paepe, A., Erny, J., Staempfli, A., Hoernschemeyer, J., Grosserueschkamp, F., Niedieker, D., El-Mashtoly, S.F., Quadri, M., van Ijcken, W.F.J., Bonifati, V., Gerwert, K., Bohrmann, B., Frank, B., Britschgi, M., Stahlberg, H., van de Berg, W., Lauer, M.E.bioRxiv2017
196An ATR-FTIR-Sensor Unraveling the Drug Intervention of Methylene Blue, Congo Red, and Berberine on Human Tau and AßSchartner, J., Nabers, A., Budde, B., Lange, J., Hoeck, N., Wiltfang, J., Kötting, C., Gerwert, K.ACS Medicinal Chemistry Letters20178: 710-714
195Non-invasive Diagnosis of High-grade Urothelial Carcinoma in Urine by Raman Spectral ImagingYosef, H.K., Krauß, S.D., Lechtonen, T., Jütte, H., Tannapfel, A., Käfferlein, H.U., Brüning, T., Roghmann, F., Noldus, J., Mosig, A., El-Mashtoly, S.F., Gerwert, K.Analytical Chemistry201789: 6893-6899
194Common mechanisms of catalysis in small and heterotrimeric GTPases and their respective GAPsGerwert, K., Mann, D., Kötting, C.Biological Chemistry2017398: 523-533
193Guest Editorial - Highlight: GTP- and ATP-dependent membrane processesGerwert, K.Biological Chemistry2017398: 519-521
192Der Computer als MikroskopMann, D., Kötting, C., Gerwert, K.GIT Labor-Fachzeitschrift20173/2017, 39–41PDF
191Spatial and molecular resolution of diffuse malignant mesothelioma heterogeneity by integrating labelfree FTIR imaging, laser capture microdissection and proteomicsGroßerüschkamp, F., Bracht, T., Diehl, H.C., Küpper, C., Ahrens, M., Kallenbach-Thieltges, A., Mosig, A., Eisenacher, M., Marcus, K., Behrens, T., Brüning, T., Theegarten, D., Sitek, B., Gerwert, K.Scientific Reports20177: 44829
190Raman fiber-optical method for colon cancer detection: Cross-validation and outlier identification approachPetersen, D., Naveedb, P., Ragheb, A., Niedieker, D., El-Mashtoly, S.F., Brechmann, T., Kötting, C., Schmiegel, W.H.,Freier, E., Pox, C., Gerwert, K.Spectrochimica Acta Part A: Mol. Biomol. Spectrosc.2017181: 270-275
189Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular DetailsMassarczyk, M., Rudack, T., Schlitter, J., Kuhne, J., Kötting, C., Gerwert, K.The Journal of Physical Chemistry B2017121: 3483-3492
188Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imagingRaszeja, L.J., Siegmund, D., Cordes, A.L., Güldenhaupt, J., Gerwert, K., Hahn, S., Metzler-Nolte, N.Chemical Communications201753: 905-908
187Elucidation of Single Hydrogen Bonds in GTPases via Experimental and Theoretical Infrared SpectroscopyMann, D., Höweler, U., Kötting, C., Gerwert, K.Biophysical Journal2017112: 66-77
186Mechanism of the intrinsic arginine finger in heterotrimeric G proteinsMann, D., Teuber, C., Tennigkeit, S.A., Schröter, G., Gerwert, K., Kötting, C.Proceedings of the National Academy of Sciences (PNAS)2016113: E8041-E8050
185Virtual Staining of Colon Cancer Tissue by Label-free Raman Micro-spectroscopyPetersen, D., Mavarani, L., Niedieker, D., Freier, E., Tannapfel, A., Kötting, C., Gerwert, K., El-Mashtoly, S.F.Analyst2016142: 1207-1215
184Unraveling the phosphocholination mechanism of the Legionella pneumophila enzyme AnkXGavriljuk, K., Schartner, J., Seidel, H., Dickhut, C., Zahedi, R.P., Hedberg, C., Kötting, C., Gerwert, K.Biochemistry201655: 4375-4385
183[FeFe]-Hydrogenase with Chalcogenide Substitutions at the H-Cluster Maintains Full H2 Evolution Activity.Noth, J., Esselborn, J., Güldenhaupt, J., Brünje, A., Sawyer, A., Apfel, U.P., Gerwert, K., Hofmann, E., Winkler, M., Happe, T.Angewandte Chemie International Edition201655: 8396-83400
182An infrared spectroscopic blood test for non-small cell lung carcinoma and subtyping into pulmonary squamous cell carcinoma or adenocarcinoma.Ollesch, J., Theegarten, D., Altmayer M., Darwiche, K., Hager, T., Stamatis, G., Gerwert, K.Biomedical Spectroscopy and Imaging20165: 129-144
181Thirty years of European Conference on Spectroscopy of Biological Molecules celebrated in Ruhr University BochumHaris, P.I., Gerwert, K.Biomedical Spectroscopy and Imaging20165: 99-100
180Label-free classification of colon cancer grading using infrared spectral histopathology.Kuepper, C., Großerueschkamp, F., Kallenbach-Thieltges, A., Mosig, A., Tannapfel, A., Gerwert, K.Faraday Discussions2016187: 105-118
179Amyloid-ß-Secondary Structure Distribution in Cerebrospinal Fluid and Blood Measured by an Immuno-Infrared-Sensor: A Biomarker Candidate for Alzheimer's Disease.Nabers, A., Ollesch, J., Schartner, J., Kötting, C., Genius, J., Hafermann, H., Klafki, H., Gerwert, K., Wiltfang, J.Analytical Chemistry201688: 2755-2762
178An infrared sensor analysing label-free the secondary structure of the Abeta peptide in presence of complex fluidsNabers, A., Ollesch, J., Schartner, J., Kötting, C., Genius, J., Haußmann, U., Klafki, H., Wiltfang, J., Gerwert, K.Journal of Biophotonics20163: 224-234
177Fully automated registration of vibrational microspectroscopic images in histologically stained tissue sections.Yang, C., Niedieker, D., Großerüschkamp, F., Horn, M., Tannapfel, A., Kallenbach-Thieltges, A., Gerwert, K., Mosig, A.BMC Bioinformatics201516: 396
176Catalysis of GTP hydrolysis by small GTPases at atomic detail by integration of X-ray crystallography, experimental and theoretical IR spectroscopyRudack, T., Jenrich, S., Brucker, S., Vetter, I.R., Gerwert, K., Kötting, C.Journal of Biological Chemistry (JBC)2015290: 24079-24090
175In vitro prediction of the efficacy of molecularly targeted cancer therapy by Raman spectral imagingHesham, K.Y., Mavarani, L., Maghnouj, A., Hahn, S., El-Mashtoly, S.F., Gerwert, K.Analytical and Bioanalytical Chemistry2015407: 8321-8331
174Label-free Raman spectroscopic imaging monitors the integral physiologically relevant drug responses in cancer cellsEl-Mashtoly, S.F., Yosef, H.K., Petersen, D., Mavarani, L., Maghnouj, A., Hahn, S.A., Kötting, C., Gerwert, K.Analytical Chemistry201587: 7297-7304
173Chemical Functionalization of Germanium with Dextran-Brushes for Immobilization of Proteins Revealed by ATR-FTIR Difference SpectroscopySchartner, J., Hoeck, N., Güldenhaupt, J., Mavarani, L., Nabers, A., Gerwert, K., Kötting, C.Analytical Chemistry201587: 7467-7475
172Integration of Fourier Transform Infrared Spectroscopy, Fluorescence Spectroscopy, Steady-State Kinetics and Molecular Dynamics Simulations of Gai1 distinguishes between the GTP Hydrolysis and GDP Release MechanismSchröter, G., Mann, D., Kötting, C., Gerwert, K.Journal of Biological Chemistry (JBC)2015290: 17085-17095
171Colocalization of fluorescence and Raman microscopic images for the identification of subcellular compartments: a validation studyKrauß, S.D., Petersen, D., Niedieker, D., Fricke, I., Freier, E., El-Mashtoly, S.F., Gerwert, K., Mosig, A.Analyst2015140: 2360-2368
170A method for the comparison of multi-platform spectral histopathology (SHP) data sets.Ergin, A., Großerüschkamp, F., Theisen, O., Gerwert, K., Remiszewski, S., Thompson, C.M., Diem, M.Analyst2015140: 2465-2472
169Review: What vibrations tell us about GTPasesKotting, C., Gerwert, K.Biological Chemistry2015396: 131-144
168bEarly Formation of the Ion-Conducting Pore in Channelrhodopsin-2Kuhne, J., Eisenhauer, K., Ritter, E., Hegemann, P., Gerwert, K., Bartl, F.Angewandte Chemie International Edition201554: 4953-4957
168aDie frühe Entstehung der ionenleitenden Pore in Channelrhodopsin-2Kuhne, J., Eisenhauer, K., Ritter, E., Hegemann, P., Gerwert, K., Bartl, F.Angewandte Chemie2015127: 5037-5041
167Marker-free automated histopathological annotation of lung tumour subtypes by FTIR imagingGroßerüschkamp, F., Kallenbach-Thieltges, A., Behrens, T., Brüning, T., Altmayer, M., Stamatis, G., Theegarten, D., Gerwert, K.Analyst2015140: 2114-2120
166Infrared spectral marker bands characterizing a transient water wire inside a hydrophobic membrane proteinWolf, S., Freier, E., Cui, Q., Gerwert, K.The Journal of Chemical Physics2014141: 22D524
165Immobilization of proteins in their physiological active state via functionalized thiol monolayers on ATR-germanium crystalsSchartner, J., Gavriljuk, K., Nabers, A., Weide, P., Muhler, M., Gerwert, K., Kötting, C.ChemBioChem201415: 2529-2534
164Reaction Mechanism of Adenylyltransferase DrrA from Legionella pneumophila Elucidated by Time-Resolved Fourier Transform Infrared SpectroscopyGavriljuk, K., Schartner, J., Itzen, A., Goody, R.S., Gerwert, K., Kötting, C.Journal of the American Chemical Society (JACS)2014136: 9338-9345
163A Delocalized Proton-Binding Site within a membrane ProteinWolf, S., Freier, E., Gerwert, K.Biophysical Journal2014107: 174-184
162A modified infrared spectrometer with high time-resolution and its application for investigating fast conformational changes of the GTPase RasLin, J., Gerwert, K., Kötting, C.Applied Spectroscopy201468: 531-535
161Automated Identification of Subcellular Organelles by Coherent Anti-Stokes Raman ScatteringEl-Mashtoly, S.F., Niedieker, D., Petersen, D., Krauss, S.D., Freier, E., Maghnouj, A., Mosig, A., Hahn, S., Kötting, C., Gerwert, K.Biophysical Journal2014106: 1910-1920
160Label-free imaging of drug distribution and metabolism in colon cancer cells by Raman microscopy.El-Mashtoly, S.F., Petersen, D., Yosef, H.K., Mosig, A., Reinacher-Schick, A., Kötting, C., Gerwert, K.Analyst2013139: 1155-1161
159It's in your blood: spectral biomarker candidates for urinary bladder cancer from automated FTIR spectroscopy.Ollesch, J., Heinze, M., Heise, H.M., Behrens, T., Brüning, T., Gerwert, K.Journal of Biophotonics20137: 210-221
158The role of protein-bound water molecules in microbial rhodopsinsGerwert, K., Freier, E., Wolf, S.BBA Bioenergetics20131837: 606–613
157Vibrational spectroscopy for label-free cancer detectionGerwert, K., Großerüschkamp, F., Ollesch, J.Spie201301/07
156Similarity maps and hierarchical clustering for annotating FT-IR spectral imagesZhong, Q., Yang, C., Großerüschkamp, F., Kallenbach-Thieltges, A., Serocka, P., Gerwert, K., Mosig, A.BMC Bioinformatics201314: 333
155Membrane extraction of Rab proteins by GDP dissociation inhibitor characterized using attenuated total reflection infrared spectroscopyGavriljuk, K., Itzen, A., Goody, R.S., Gerwert, K., Kötting, C.Proceedings of the National Academy of Sciences (PNAS)2013110: 13380-13385
154FTIR spectroscopy of biofluids revisited: an automated approach to spectral biomarker identificationOllesch, J., Drees, S.L., Heise, H.M., Behrens, T., Brüning, T., Gerwert, K.Analyst2013138: 4092 – 4102
153The dynamics of the catalytic site in small GTPases, variations on a common motifKötting, C., Gerwert, K.FEBS Letters2013587: 2025–2027
152Spectral Histopathology of colon cancer tissue sections by Raman imaging with 532 nm excitation provides label free annotation of lymphocytes, erythrocytes and proliferating nuclei of cancer cellsMavarani, L., Petersen, D., El-Mashtoly, S.F., Mosig, A., Tannapfel, A., Kötting, C., Gerwert, K.Analyst2013138: 4035–4039
151Monitoring protein-ligand interactions by time-resolved FTIR difference spectroscopy.Kötting, C., Gerwert K.Protein-Ligand Interactions; Methods in Molecular Biology20131008: 299-323
150Krebs einfacher diagnostizieren - Welche Rolle spielen Proteine bei der Krebsentstehung?Gerwert, K.Rubin2013PDF
149Universal Method for Protein Immobilization on Chemically Functionalized Germanium Investigated by ATR-FTIR Difference SpectroscopySchartner, J., Güldenhaupt, J., Mei, B., Rögner, M., Muhler, M., Gerwert, K., Kötting, C. Journal of the American Chemical Society (JACS)2013135: 4079-4087
148Immunohistochemistry, histopathology and infrared spectral histopathology of colon cancer tissue sectionsKallenbach-Thieltges, A., Großerüschkamp, F., Mosig, A., Diem, M., Tannapfel, A., Gerwert, K.Journal of Biophotonics20136: 88-100
147Catalytic Mechanism of a Mammalian Rab•RabGAP Complex in Atomic DetailGavriljuk, K., Gazdag, E. M., Itzen, A., Kötting, C., Goody, R. S., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2012109: 21348-21353
146Time-resolved Fourier Transform Infrared Spectroscopy of the Nucleotide-binding Domain from the ATP-binding Cassette Transporter MsbASyberg, F., Suveyzdis, Y., Kötting, C., Gerwert, K., Hofmann, E.Journal of Biological Chemistry (JBC)2012287: 23923-23931
145Detailed structure of the H2PO4--GDP intermediate in Ras-GAP decoded from FTIR experiments by biomolecular simulationsXia, F., Rudack, T., Cui, Q., Kötting, C., Gerwert, K.Journal of the American Chemical Society (JACS)2012134: 20041-20044
144N-Ras forms dimers at POPC membranesGüldenhaupt, J., Rudack, T., Bachler, P., Mann, D., Triola, G., Waldmann, H.,Kötting, C.,Gerwert, K.Biophysical Journal2012103: 1585-1593
143The Role of Magnesium for Geometry and Charge in GTP Hydrolysis, Revealed by Quantum Mechanics/Molecular Mechanics SimulationsRudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K.Biophysical Journal2012103: 293–302
142Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulationsRudack, T., Fei X., Schlitter, J., Kötting, C., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2012109: 15295-15300
141Exploring the Multidimensional Free Energy Surface of Phosphoester Hydrolysis with Constrained QM/MM DynamicsLi, W., Rudack, T., Gerwert, K., Gräter, F., Schlitter, J.Journal of Chemical Theory and Computation20128: 3596-3604
140Surface attached polyhistidine-tag proteins characterized by FTIR difference spectroscopyPinkerneil, P., Güldenhaupt, J., Gerwert, K., Kötting, C.ChemPhysChem201213: 2649–2653
139Nanoscale distinction of membrane patches – a TERS study of Halobacterium salinarumDeckert-Gaudig, T., Böhme, R., Freier, E., Sebesta, A., Merkendorf, T., Popp, J., Gerwert, K., Deckert, V.Journal of BioPhotonics20125: 582–591
138In channelrhodopsin-2 E90 is crucial for ion selectivity and is deprotonated during the photocycleEisenhauer, K., Kuhne, J., Ritter, E., Berndt, A., Wolf, S., Freier, E., Bartl, F., Hegemann, P., Gerwert, K.Journal of Biological Chemistry (JBC)2012287: 6904-6911
137bPrediction of a ligand-binding niche within a human olfactory receptor by combining site-directed mutagenesis with dynamic homology modellingGelis, L., Wolf, S., Hatt, H., Neuhaus, E.M., Gerwert, K.Angewandte Chemie International Edition201251: 1274-1278
137aVorhersage der Ligandenerkennung in einem Geruchsrezeptor durch Kombination von ortsgerichteter Mutagenese und dynamischer Homologie-ModellierungGelis, L., Wolf, S., Hatt, H., Neuhaus, E.M., Gerwert, K.Angewandte Chemie2012124: 1300-1304
136Time-resolved FTIR spectroscopy for monitoring protein dynamics exemplified by functional studies of Ras protein bound to a lipid bilayerKötting, C., Güldenhaupt, J., Gerwert, K.Chemical Physics2012396: 72-83
135The Specific vibrational modes of GTP in solution and bound to Ras: a detailed theoretical analysis by QM/MM simulationsFei, X., Rudack, T., Kötting, C., Schlitter, J., Gerwert, K.Physical Chemistry Chemical Physics201113: 21451–21460
134The structure of active opsin as a basis for identification of GPCR agonists by dynamic homology modelling and virtual screening assaysSchneider, M., Wolf, S., Schlitter, J., Gerwert, K.FEBS Letters2011585: 3587-3592
133Structural Basis of Slow Activation Gating in the Cardiac IKs Channel ComplexStrutz-Seebohm, N., Pusch, M., Wolf, S., Stoll, R., Tapken, D., Gerwert, K., Attali, B., Seebohm, G.Cellular Physiology and Biochemistry201127: 443-452
132Proton transfer via a transient linear water-molecule chain in a membrane proteinFreier, E., Wolf, S., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2011108: 11435-11439
131Histidine is involved in coupling proton uptake to electron transfer in photosynthetic proteinsOnidas, D., Stachnik, J. M., Brucker, S., Krätzig, S., Gerwert, K.European Journal of Cell Biology201089: 983–989
130Label-Free Screening of Drug-protein Interactions by trFTIR Spectroscopic Assays Exemplified by Ras InteractionsKötting, C., Suveyzdis, Y., Bojja, R., Metzler Nolte, N., Gerwert, K.Applied Spectroscopy201064: 967-972
129Fourier Transform Infrared (FTIR) SpectroscopyGerwert, K., Kötting, C. Encyclopedia of Life Sciences20101-8
128eDirectional Proton Transfer in Membrane Proteins Achieved through protonated Protein-Bound Water Molecules: A Proton-DiodeWolf, S., Freier, E., Potschies, M., Hofmann, E., Gerwert, K.Angewandte Chemie International Edition201049: 6889-6893
128gGerichteter Protonentransfer in Membranproteinen mittels protonierter proteingebundener Wassermoleküle: eine ProtonendiodeWolf, S., Freier, E., Potschies, M., Hofmann, E., Gerwert, K.Angewandte Chemie2010122: 7041-7046
127Tyr39 of Ran preserves the Ran·GTP gradient by inhibiting GTP hydrolysisBrucker, S., Gerwert, K., Kötting, C.Journal of Molecular Biology (JMB)2010401: 1–6
126Unraveling the mechanism of dual-specificity GAPsBegoña Sot, B., Kötting, C., Deaconescu, D., Suveyzdis, Y., Gerwert, K., Wittinghofer, A.The EMBO Journal201029: 1205-1214
125Spectroscopic investigation of the reaction mechanism of CopB-B, the catalytic fragment from an archaeal thermophilic ATP-driven heavy metal transporterVöllmecke, C., Kötting, C., Gerwert, K., Lübben, M.FEBS Journal2009276: 6172–6186
124How does a membrane protein achieve a vectorial proton transfer via water molecules?Wolf, S., Freier, E., Gerwert, K.ChemPhysChem20089: 2772-2778
123Dynamik der ProteineKötting. C., Gerwert, K.BIOforum20086/2008, 36-38PDF
122Secondary Structure of Lipidated Ras bound to a Lipid BilayerGüldenhaupt, J., Adigüzel, Y., Kuhlmann, J., Waldmann, H., Kötting, K., Gerwert, K.FEBS Journal2008275: 5910-5918
121Simulations of a G protein-coupled receptor homology model predict dynamic features and a ligand binding siteWolf, S., Böckmann, S., Höweler, U., Schlitter, J., Gerwert, K.FEBS Letters2008582: 3335-3342
120Dynamik der ProteineKötting, C., Gerwert, K.GIT Labor-Fachzeitschrift20089/2008: S. 772–774PDF
119Structural changes of membrane anchored PrPCElfrink, K., Ollesch, J., Stöhr, C., Willbold, D., Riesner, D., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2008105: 10815-10819
118Systematic approach to group-specific isotopic labeling of proteins for vibrational spectroscopyWarscheid, B., Brucker, S., Kallenbach, A., Meyer, H.E., Gerwert, K., Kötting, C.Vibrational Spectroscopy200848: 28–36
117The GAP arginine finger movement into the catalytic site of Ras increases the activation entropyKötting, C., Kallenbach, A., Suveyzdis, Y., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2008105: 6260-6265
116Secondary structure and distribution of fusogenic LV-peptides in lipid membranesOllesch, J., Poschner, B.C., Nikolaus, J., Hofmann, M.W., Herrmann, A., Gerwert, K., Langosch, D.European Biophysics Journal200837: 435-445
115Role of the arginine finger in Ras?RasGAP revealed by QM/MM calculationste Heesen, H., Gerwert, K., Schlitter, J.FEBS Letters2007581: 5677-5684
114Prion Protein a-to-ß Transition Monitored by Time-Resolved Fourier Transform Infrared Spectroscopy Ollesch, J., Künnemann, E., Glockshuber, R., Gerwert, K.Applied Spectroscopy200761: 1025-1031
113Protein Reactions: Resolved with tr-FTIRKötting, C., Gerwert, K.Spectroscopy Europe200719 3: 19-23PDF
112Surface change of Ras enabling effector binding monitored in real time at atomic resolutionKötting, C., Kallenbach, A., Suveyzdis, Y., Eichholz, C., Gerwert, K.ChemBioChem20078: 781-787
111Insight into catalysis of a unique GTPase reaction by a combined biochemical and FTIR approachChakrabarti, P., Daumke, O., Suveyzdis, Y., Kötting, C., Gerwert, K., Wittinghofer, A.Journal of Molecular Biology (JMB)2007367: 983-995
110Proton uptake in the reaction center mutant L210DN from Rhodobacter sphaeroides via protonated water moleculesHermes, S., Stachnik, J.M., Onidas, D., Remy, A., Hofmann, E., Gerwert, K.Biochemistry200645: 13741-13748
109Proteinreaktionen: aufgelöst mit trFTIRKötting, C., Gerwert, K.Nachrichten aus der Chemie200654: 959-965
108A phosphoryl transfer intermediate in the GTPase reaction of Ras in complex with its GTPase-activating proteinKötting, C., Blessenohl, M., Suveyzdis, Y., Goody, R.S., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2006103: 13911-13916
107Polarised FTIR Spectroscopy in Conjunction with in situ H/D Exchange reveals the Orientation of Protein Internal Carboxylic AcidsGarczarek, F., Gerwert, K.Journal of the American Chemical Society (JACS)2006128: 28-29
106A time-resolved Fe-specific X-ray absorption experiment yields no evidence for a Fe2+->Fe3+ transition during QA --> QB electron transfer in the photosynthetic reaction centerHermes, S., Bremm, O., Garczarek, F., Derrien, V., Liebisch, P., Loja, P., Sebban, P., Gerwert, K., Haumann, M.Biochemistry200645: 353-359
105Functional waters in intraprotein proton transfer monitored by FTIR difference spectroscopy.Garczarek, F., Gerwert, K.Nature2006439: 109-112
104Monitoring Protein-Protein Interactions by Time-resolved FTIR Difference SpectroscopyKötting, C., Gerwert, K.Protein-Protein Interactions; A molecular cloning Manual, 2nd edition2005xPDF
103Monitoring Protein-Ligand Interactions by Time-resolved FTIR Difference Spectroscopy Kötting, C., Gerwert, K.Protein-Ligand Interactions; Methods in Molecular Biology2005
102Theoretical IR Spectroscopy Based on QM/MM Calculations Provides Changes in Charge Distribution, Bond Length, and Bond Angles of the GTP Ligand Induced by the Ras-ProteinKlähn, M., Schlitter, J., Gerwert, K.Biophysical Journal200588: 3829-3844
101Proteins in Action Monitored by Time-Resolved FTIR SpectroscopyKötting, C., Gerwert, K.ChemPhysChem20056: 881-888
100Light-induced reactions of Escherichia coli DNA photolyase monitored by Fourier transform infrared spectroscopySchleicher, E., Heßling, B., Illarinova, V., Bacher, A., Weber, S., Richter, G., Gerwert, K.FEBS Journal2005272: 1-12
099Proton binding within a membrane protein by a protonated water clusterGarczarek, F., Brown, L.S., Lanyi, J.K., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)2005102: 3633-3638
098Water Dynamics Simulation as a Tool for Probing Proton Transfer Pathways in a Heptahelical Membrane ProteinKandt, C., Gerwert, K., Schlitter, J.PROTEINS: Structure, Function, and Bioinformatics200558: 528-537
097Time-resolved FTIR studies provide activation free energy, activation enthalpy and activation entropy for GTPase reactionsKötting, C., Gerwert, K.Chemical Physics2004307: 227-232
096Reply to „Complementaries and Convergence of Results in Bacteriorhodopsin Trimer Simulations“Kandt, C., Schlitter, J., Gerwert, K.Biophysical Journal200487: 1396-1396
095The Assignment of the Different Infrared Continuum Absorbance Changes Observed in the 3000-1800-cm –1 Region during the Bacteriorhodopsin PhotocycleGarczarek, F., Wang, J., El-Sayed, M. A., Gerwert, K.Biophysical Journal200487: 2676-2682
094IR Spectra of Phosphate Ions in Aqueous Solution : Predictions of a DFT/MM Approach Compared with ObservationsKlähn, M., Mathias, G., Kötting, C., Nonella, M., Schlitter, J., Gerwert, K., Tavan, P.The Journal of Physical Chemistry A2004108: 6186-6194
093Fourier Transform Infrared Spectroscopy on the Rap•RapGAP Reaction, GTPase Activation without an Arginine FingerChakrabarti, P., Suveyzdis, Y., Wittinghofer, A., Gerwert, K.Journal of Biological Chemistry (JBC)2004279: 46226-46233
092De Novo design of conformationally flexible transmembrane peptides driving membrane fusionHofmann, M. W., Weise, K., Ollesch, J., Agrawal, P., Stalz, H., Stelzer, W., Hulsbergen, F., deGroot, H., Gerwert, K., Reed, J., Langosch, D.Proceedings of the National Academy of Sciences (PNAS)2004101: 14776-14781
091FTIR spectroscopy shows structural similarities between photosystems II from cyanobacteria and spinachRemy, A., Niklas, J., Kuhl, H., Kellers, P., Schrott, T., Rögner, M., Gerwert, K.European Journal of Biochemistry2004271: 563-567
090Dynamics of Water Molecules in the Bacteriorhodopsin Trimer in Explicit Lipid/Water EnvironmentKandt, C., Schlitter, J., Gerwert, K.Biophysical Journal200486: 705-717
089Zeitaufgelöste trFTIR-Studien zeigen Proteine in AktionBourdos, N., Gerwert, K.Laborwelt20034: No. 6, 31-34PDF
088Coupling of light-induced electron transfer to proton uptake in photosynthesisRemy, A., Gerwert, K.Nature Structural & Molecular Biology200310: 637–644
087Does different orientation of the methoxy groups of ubiquinone-10 in the reaction centre of Rhodobacter sphaeroides cause different binding at QA and QB?Remy, A., Boers, R.B., Egorova-Zachernyuk, T., Gast, P., Lugtenburg, J., Gerwert, K.European Journal of Biochemistry2003270: 3603-3609
086Proteins at work monitored by time-resolved FTIR-difference spectroscopyGerwert, K.Biophysical Journal200282: 36PDF
085GTPase mechanism of Ras studied by time-resolved FTIR spectroscopy.Gerwert, K.Abstracts Of Papers Of The American Chemical Society2002223: C25-C25PDF
084Probing protein folding with time-resolved FTIR spectroscopy - Novel techniques for the investigation of changes in protein conformationKauffmann, E., Austin, R. H., Gerwert, K.B.I.F. Futura200116: 152-158PDF
083Molecular Reaction Mechanisms of Proteins Monitored by Time-resolved FTIR Difference SpectroscopyGerwert, K.Handbook of Vibrational Spectroscopy; Volume 5 - Applications of Vibrational Spectroscopy in Life and Natural Sciences2001xPDF
082pKa Calculations Suggest Storage of an Excess Proton in a Hydrogen-Bonded Water Network in Bacteriorhodopsin.Spassov, V.Z., Luecke, H., Bashford, D., Gerwert, K.Journal of Molecular Biology (JMB)2001312: 203-219
081Monitoring the GAP Catalyzed H-Ras p21 GTPase Reaction at Atomic Resolution in Real Time.Allin, C., Ahmadian, M.R., Wittinghofer, A., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)200198: 7754 – 7759
080Time-Resolved Detection of Transient Movement of Helices F and G in Doubly Spin-Labeled Bacteriorhodopsin. Radzwill, N., Gerwert, K., Steinhoff, H.-J.Biophysical Journal200180: 2856 – 2866
079Lifetimes of intermediates in the beta-sheet to alpha-helix transition of beta-lactoglobulin by using a diffusional IR mixer IR mixer.Kauffmann, E., Darnton, N.C., Austin, R.H., Batt, C., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)200198: 6646 - 6649"
078Structure of the I1 early intermediate of photoactive yellow protein by FTIR spectroscopy.Brudler, R., Rammelsberg, R., Woo, T.T., Getzoff, E.D., Gerwert, K.Nature Structural Biology20018: 265 – 270
077Ras Catalyzes GTP Hydrolysis by Shifting Negative chargees from gamma- to beta-Phosphate as revealed by Time-resolved FTIR Difference SpectroscopyAllin, C., Gerwert, K.Biochemistry200140: 3037 – 3046
076Coupling of Hydrogen Bonding to Chromophore Conformation and Function in Photoactive Yellow Protein.Brudler, R., Meyer, T.E., Genick, U.K.D., Woo, T.T., Millar, D.P., Gerwert, K., Cusanovich, M.A., Tollin, G.,Getzoff, E.D.Biochemistry200039: 13478-13486
075Molecular Reaction Mechanisms of Proteins Monitored by Time-Resolved FTIR and FT-Raman SpectroscopyGerwert, K.ACS Symposium Series; Infrared Analysis of Peptides and Proteins2000750: 159-166
074Time-Resolved FT-IR Difference Spectroscopy: A Tool to Monitor Molecular Reaction of ProteinsGerwert, K.Infrared and Raman Spectroscopy of Biological Materials2000193-230xPDF
073Unraveling Photoexcited Conformational Changes of Bacteriorhodopsin by Time Resolved EPR SpectroscopyRink, Th., Pfeiffer, M., Oesterhelt, D., Gerwert, K., Steinhoff, H.-J.Biophysical Journal200078: 1519-1530
072Dual Photoactive Species in Glu46Asp and Glu46Ala Mutants of Photoactive Yellow Protein: a pH Driven Color Transition Devanathan, S., Brudler, R., Heßling, B., Woo, T.T., Gerwert, K., Getzoff, E.D., Cusanovich, M.A., Tollin, G.Biochemistry199938: 13766-13772
071Efficient Conditions for the Photoaccumulation of HA- in the Photosynthetic Reaction Centres of Rhodobacter sphaeroides R 26 with Uniformly Labelled Bacteriopheophytin Monitored by Fourier Transform Infrared Difference Spectroscopy Egorova-Zachernyuk, T., Remy, A., Shkuropatov, A., Gast, P., Hoff, A., Gerwert, K., de Groot, H.Vibrational Spectroscopy199919: 347-352
070Azide Reduces the Hydrophobic Barrier of the Bacterorhodopsin Proton ChannelSteinhoff, H.-J., Pfeiffer, M., Rink, Th., Burlon, O., Kurz, M., Riesle, J., Heuberger, E., Gerwert, K., Oesterhelt, D.Biophysical Journal199976: 2702-2710
069Time-Resolved Step-Scan FT-IR Spectroscopy of Noncyclic ReactionsRammelsberg, R., Gerwert, K.Proceedings of the Twelfth International Conference on Fourier Transform Spectroscopy1999xPDF
068Molecular Reaction Mechanisms of Proteins Monitored by Time-Resolved FTIR-SpectroscopyGerwert, K.Biological Chemistry1999380: 931-935
067StrukturbiologieGerwert, K.Biologie 20001999xPDF
066Proteine in AktionGerwert, K.BIORUBIN1999xPDF
065Site-directed Spin-labeling Reveals the Orientation of the Amino Acid Side-chains in the E-F LoopPfeiffer, M., Rink, Th., Gerwert, K., Oesterhelt, D., Steinhoff, H.-J.Journal of Molecular Biology (JMB)1999287: 163-171
064Set-up for time-resolved step-scan FTIR spectroscopy of noncyclic reactionsRammelsberg, R., Boulas, S., Chorongiewski, H., Gerwert, K.Vibrational Spectroscopy199919: 143-149
063Elektron transfer induces side chain conformational changes of Glu-286 from cytochrome bo3Lübben, M., Prutsch, A., Mamat, B., Gerwert, K.Biochemistry199938: 2048-2056
062Time-resolved FTIR studies of the GTPase reaction of H-ras p21 reveal a keyrole for the beta-phosphateCepus, V., Scheidig, A.J., Goody, R.S., Gerwert, K.Biochemistry199837: 10263-10271
061Bacteriorhodopsin’s Intramolecular Proton-Release Pathway Consists of a Hydrogen-Bonded NetworkRammelsberg, R., Huhn, G., Lübben, M., Gerwert, K.Biochemistry199837: 5001-5009
060Step-scan FTIR spectroscopy of the QA-QB?QAQB- transition in Rb. sphaeroides R26 reaction centresBrudler, R., Gerwert, K.Photosynthesis Research199855: 261-266
059FTIR photolysis studies of caged compoundsCepus, V., Ulbrich, C., Allin, C., Troullier, A., Gerwert, K.Methods in Enzymology1998291: 223-245
058Proteins at work: Time-resolved FTIR studies of bacteriorhodopsin and the GTP-binding protein P21.Gerwert, K.Interacting Protein Domains, Their Role in Signal and Energy Transduction199763-72
057Zeitaufgelöste FTIR-Spektroskopie zur Bestimmung molekularer Reaktionsmechanismen von ProteinenGerwert, K.Biospektrum19972: 34-39PDF
056Spin labeling studies of the conformational changes in the vicinity of D36,D38,T46 and E161 of bacteriorhodopsin during the photocycleRink, Th., Riesle, J., Oesterhelt, D., Gerwert, K., Steinhoff, H.-J.Biophysical Journal199773: 983-993
055Reconstitution of Bacteriorhodopsin from the Apoprotein and Retinal studied by Fourier-transform Infrared SpectroscopyRüdiger, M., Tittor, J., Gerwert, K., Oesterhelt, D.Biochemistry199736: 4867-4874
054Molecular reaction mechanisms of proteins monitored by nanosecond step-scan FT-IR difference spectroscopyRammelsberg, R., Heßling, B., Chorongiewski, H., Gerwert, K.Applied Spectroscopy199751: 558-562
053Fourier Transform Infrared Double-Flash Experiments Resolve Bacteriorhodopsin’s M1 to M2 TransitionHessling, B., Herbst, J., Rammelsberg, R., Gerwert, K.Biophysical Journal199773: 2071-2080
052Redox-FTIR difference spectroscopy using caged electrons reveals contribution of carboxyl groups to the catalytic mechanism of haemcopper oxidasesLübben, M., Gerwert, K.FEBS Letters1996397: 303-307
051Kinetic Isotope effects reveal an ice-like and a liquid-phase-type intramolecular proton transfer in Bacteriorhodopsinle Coutre, J., Gerwert, K.FEBS Letters1996398: 333-336
050A time resolved FTIR difference spectroscopy study of the SR Ca2+-ATPase: kinetics of the high affinity calcium binding at low temperatureTroullier, A., Gerwert, K., Dupont, Y.Biophysical Journal199671: 2970-2983
049FTIR spectroscopic characterization of the QA and QB binding sites in Rhodobacter sphaeroides R26 reaction centers.Brudler, R., de Groot, H.J.M., van Liemt, W.B.S., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.The Reaction Center of Photosynthetic Bacteria1996395-404
048Wie funktionieren Proteine?Gerwert, K.RUBIN19952PDF
047FTIR spectroscopy shows weak symmetric hydrogen bonding of the QB carbonyl groups in Rhodobacter sphaeroides R26 reaction centresBrudler, R., de Groot, H.J.M., van Liemt, W.B.S., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.FEBS Letters1995370: 88-92
046Investigation of fast reactions and intermediatesGerwert, K. Infrared and Raman Spectroscopy, Methods and Applications1995617-637xPDF
045Computational Studies on Early Intermediates of Bacteriorhodopsin PhotocycleEngels, M., Gerwert, K., Bashford, D.Biophysical Chemistry199556: 95-104
044Chemical reconstitution of a chloride pump inactivated by a single point mutationRüdiger, M., Haupts, U., Gerwert, K., Oesterhelt, D.EMBO Journal199514: 1599-1606
043FTIR investigation of the blue to acid -purple transition of Bacteriorhodopsin by use of induced halide bindingle Coutre, J., Rüdiger, M., Oesterhelt, D., Gerwert, K.Journal of Molecular Structure1995349: 165-168
042Experimental evidence for hydrogen-bonded network proton transfer in bacteriorhodopsin shown by FTIR spectroscopy using azide as catalystle Coutre, J., Tittor, J., Oesterhelt, D., Gerwert, K.Proceedings of the National Academy of Sciences (PNAS)199592: 4962-4966
041Asymmetric binding of the 1- and 4-C=O groups of QA in Rhodobacter sphaeroides R26 reaction centres monitored by Fourier transform infra-red spectroscopy using site-specific isotopically labelled ubiquinone-10Brudler, R., de Groot, H.J.M., van Liemt, W.B.S., Steggerda, W.F., Esmeijer, R., Gast, P., Hoff, A.J., Lugtenburg, J., Gerwert, K.EMBO Journal199413: 5523-5530
040How Catalizes Azide Proton-Pumping in D96N Mutated Bacteriorhodopsin?le Coutre, J., Gerwert, K.Time Resolved Vibrational Spectroscopy VI1994256-257PDF
039Time-resolved FTIR-Studies of H-Ras P21 GTPase ActivityGerwert, K., Cepus, V., Scheidig, A., Goody, R.S.Time Resolved Vibrational Spectroscopy VI1994185-187xPDF
038Molekulare Reaktionsmechanismen photosynthetischer MembranproteineGerwert, K.FUTURA 1199313-17xPDF
037Zeitaufgelöste FTIR-DifferenzspektroskopieGerwert, K., Souvignier, G.Nachrichten aus der Chemie, Technik und Laboratorium199341: 950-956PDF
036A Model-Independent Approach to Assigning Bacteriorhodopsin's Intramolecular Reactions to Photocycle IntermediatesHeßling, B., Souvignier, G., Gerwert, K.Biophysical Journal199365: 1929-1941
035Molecular reaction mechanism of proteins as monitored by time-resolved FTIR spectroscopyGerwert, K.Current Opinion Structural Biology19933: 769-773
034Time-Resolved FTIR Studies on BacteriorhodopsinGerwert,K.Time Resolved Vibrational Spectroscopy V199261-64xPDF
033The azide-effect in D96 --> N/G mutated bacteriorhodopsins monitored by timeresolved FTIR-difference-spectroscopyle Coutre, J., Gerwert, K.Structures and Functions of Retinal Proteins1992127-130xPDF
032A new approach to analyse kinetic data of bacteriorhodopsin, factor analysis and decompositionHeßling, B., Souvignier, G., Gerwert, K.Structures and Functions of Retinal Proteins1992155-158xPDF
031The proton uptake reactions of Bacteriorhodopsin determined by time-resolved stroboscopic-FTIR-spectroscopySouvignier, G., Gerwert, K.Biophysical Journal199263: 1393-1405
030Molecular reaction mechanism of photosynthetic proteins as determined by FTIR-spectroscopyGerwert, K.BBA Bioenergetics19921101: 147-153PDF
029Time-resolved FTIR studies on proteinsGerwert, K., Souvignier, G.Proceedings SPIE 1575, 8th International Conference on Fourier Transform Spectroscopy1992431-432
028Electrostatic calculations of the pKa's of ionazable groups in BacteriorhodopsinBashford, D., Gerwert, K.Journal of Molecular Biology (JMB)1992224: 473-486
027Light-induced charge separation in Rps. viridis reaction centers monitored by FTIR difference spectroscopy: the Quinone vibrationsBuchanan, S., Michel, H., Gerwert, K.Biochemistry199231: 1314-1322
026FT-Raman Light-Induced Intermediate Spectra of Photobiological SystemsGerwert, K., Hoffmann, A., Schrader, B.Proceedings of the 13. International Conference on Raman Spectroscopy1992490-491xPDF
025Investigation of quinone reduction in Rps. viridis by FTIR difference spectroscopy and X-ray diffraction analysisBuchanan, S., Michel, H., Gerwert, K.Reaction Centers of Photosynthetic Bacteria199075-85xPDF
024Comparison of FTIR and FT Raman Spectra of Dark-Adapted and Light-Adapted BacteriorhodopsinGerwert, K., Hoffmann, A., Schrader, B.Proceedings of the 12. International Conference on Raman Spectroscopy1990852-853xPDF
023Time resolved FTIR difference spectroscopy applied to ultra thin layers of membrane proteins.Gerwert, K., Souvignier, G., Hess, B.SPIE, Proceedings of the 7. International Conference on FTIR Spectroscopy19901145: 130-131
022Simultaneous monitoring of light-induced changes in protein side-group protonation, chromophore, isomerization, and backbone motion of bacteriorhodopsin by time-resolved Fourier-transform infrared spectroscopyGerwert, K., Souvignier, G., Hess, B.Proceedings of the National Academy of Sciences (PNAS)199087: 9774-9778
021FTIR studies of light induced intramolecular processes on crystals and reconstituted reaction centers from rhodopseudomonas viridisBuchanan, S., Michel, H., Gerwert, K.Current Research in Photosynthesis199069-72
020Proline residues undergo structural changes during proton pumping in bacteriorhodopsinGerwert, K., Hess, B., Engelhard, M.FEBS Letters1990261: 449-459
019Role of aspartate-96 in proton translocation by bacteriorhodopsinGerwert, K., Hess, B., Soppa, J., Oesterhelt, D.Proceedings of the National Academy of Sciences (PNAS)198986: 4943-4947
018Intramolekulare Proteindynamik - Untersuchungen mit Hilfe zeitaufgelöster Fourier-Transform-Infrarot-SpektroskopieGerwert, K.FUTURA19881/88, 31-36xPDF
017Light induced intramolecular processes of bacteriorhodopsin monitored by time resolved FTIR (Fourier transform infrared) spectroscopyGerwert, K., Hess, B.The Ion Pumps: Structure, Function, and Regulation1988321-326xPDF
016Initiation of light-induced proton transfers in bacteriorhodopsin monitored by FTIR difference spectroscopyGerwert, K., Hess, B.Biophysical Studies of Retinal Proteins. Proceedings of a Conference in Memory of Laura Eisenstein1988144-148xPDF
015FTIR studies on crystals of photosynthetic reaction centersGerwert, K., Hess, B., Michel, H., Buchanan, S.FEBS Letters1988232: 303-307
014Investigation of Intramolecular Processes in Proteins by Time Resolved FTIR-Difference SpectroscopyGerwert, K., Hess, B.Mikrochimica Acta1988255-258
013Intramolekulare Proteindynamik untersucht mit zeitaufgelöster Fourier Transform Infrarot-DifferenzspektroskopieGerwert, K.Berichte der Bunsengesellschaft für Physikalische Chemie198892: 978-982
012Only water-exposed carboxyl groups are protonated during the transition to the cation-free blue bacteriorhodopsinGerwert, K., Ganter, U.M., Siebert, F., Hess, B.FEBS Letters1987213: 39-44
011Intramolecular protontransfers in bacteriorhodopsin monitored by Fourier transform infrared difference spectroscopyGerwert, K., Hess, B.Interactions of Water in Ionic and Nonionic Hydrates1987183-186xPDF
010Investigation of the M to BR backreaction in bacteriorhodopsin by time resolved FTIR difference spectroscopyGerwert, K., Hess, B.Spectroscopy of Biological Molecules - New Advances1987261-263PDF
009FTIR spectroscopy on crystals of the photosynthetic reaction centers from Rhodopseudomonas viridis using an IR microscope.Gerwert, K., Buchanan, S., Hess, B., Michel, H.Spectroscopy of Biological Molecules - New Advances1987301-303xPDF
008Evidence for light-induced 13-cis, 14-s-cis, isomerization in bacteriorhodopsin obtained by FTIR difference spectroscopy using isotopically labelled retinalsGerwert, K., Siebert, F.EMBO Journal19865: 805-811
007Vibrational analysis of chromophore-configurations in bacteriorhodopsin during the photocycle using FTIR difference spectroscopyGerwert, K., Siebert, F., Pardoen, J.A., Winkel, C., Lugtenburg, J.Spectroscopy of Biological Molecules1985373-375xPDF
006Evidence from FTIR-measurements for a separation of the protonated Schiff base from the counterion into a less polar environment.Gerwert, K., Siebert, F., Pardoen, J.A., Winkel, C., Lugtenburg, J.Time-Resolved Vibrational Spectroscopy1985259-262xPDF
005Time-resolved infrared spectroscopy applied to photobiological systems. Gerwert, K., Rodriguez-Gonzales, R., Siebert, F.Time-Resolved Vibrational Spectroscopy1985259-262xPDF
004Light-driven protonation changes of internal aspartic acids of bacteriorhodopsin: An investigation by static and time-resolved infrared difference spectroscopy using aspartic acid labeled purple membrane Engelhard, M., Gerwert, K., Hess, B., Kreutz, W., Siebert. F.Biochemistry198524: 400-407
003The role of carboxylic acid residues in the proton pump mechanism of bacteriorhodopsin (bR): Investigation by time resolved and static IR difference spectroscopy with [4-13C] labelled aspartic acid.Gerwert, K., Kreutz, W., Mäntele, W., Siebert, F., Engelhard, M., Hess, B.Photochemistry and Photobiology198439xPDF
002Fourier-transform infrared spectroscopy applied to rhodopsin. The problem of the protonation state of the retinylidene Schiff base reinvestigated Siebert, F., Mäntele, W., Gerwert, K.European Journal of Biochemistry1983136: 119-127
001Measurement of photoionisation cross sections for the and excited states of caesiumGerwert, K., Kollath, K.J.Journal of Physics B: Atomic and Molecular Physics198316: L217-L221