Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
Schuetz, Doris A., de Witte, Wilhelmus Egbertus Arnout, Wong, Yin Cheong, Knasmueller, Bernhard, Richter, Lars, Kokh, Daria B., Sadiq, S. Kashif, Bosma, Reggie, Nederpelt, Indira, Heitman, Laura H., Segala, Elena, Amaral, Marta, Guo, Dong, Andres, Dorothee, Georgi, Victoria, Stoddart, Leigh A., Hill, Steve, Cooke, Robert M., De Graaf, Chris, Leurs, Rob, Frech, Matthias, Wade, Rebecca C., de Lange, Elizabeth Cunera Maria, IJzerman, Adriaan P., Müller-Fahrnow, Anke, Ecker, Gerhard F.
Published in Drug discovery today (01.06.2017)
Published in Drug discovery today (01.06.2017)
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Estimation of Protein–Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations
Wolf, Steffen, Amaral, Marta, Lowinski, Maryse, Vallée, Francois, Musil, Djordje, Güldenhaupt, Jörn, Dreyer, Matthias K, Bomke, Jörg, Frech, Matthias, Schlitter, Jürgen, Gerwert, Klaus
Published in Journal of chemical information and modeling (23.12.2019)
Published in Journal of chemical information and modeling (23.12.2019)
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Visualizing the transiently populated closed-state of human HSP90 ATP binding domain
Henot, Faustine, Rioual, Elisa, Favier, Adrien, Macek, Pavel, Crublet, Elodie, Josso, Pierre, Brutscher, Bernhard, Frech, Matthias, Gans, Pierre, Loison, Claire, Boisbouvier, Jerome
Published in Nature communications (09.12.2022)
Published in Nature communications (09.12.2022)
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Crystal Structure of the Extracellular Segment of Integrin αVβ3 in Complex with an Arg-Gly-Asp Ligand
XIONG, Jian-Ping, STEHLE, Thilo, RONGGUANG ZHANG, JOACHIMIAK, Andrzej, FRECH, Matthias, GOODMAN, Simon L, ARNAOUT, M. Amin
Published in Science (American Association for the Advancement of Science) (05.04.2002)
Published in Science (American Association for the Advancement of Science) (05.04.2002)
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Optimized precursor to simplify assignment transfer between backbone resonances and stereospecifically labelled valine and leucine methyl groups: application to human Hsp90 N-terminal domain
Henot, Faustine, Kerfah, Rime, Törner, Ricarda, Macek, Pavel, Crublet, Elodie, Gans, Pierre, Frech, Matthias, Hamelin, Olivier, Boisbouvier, Jerome
Published in Journal of biomolecular NMR (01.07.2021)
Published in Journal of biomolecular NMR (01.07.2021)
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Structural and Biophysical Characterization of the Syk Activation Switch
Grädler, Ulrich, Schwarz, Daniel, Dresing, Verena, Musil, Djordje, Bomke, Jörg, Frech, Matthias, Greiner, Hartmut, Jäkel, Stefan, Rysiok, Thomas, Müller-Pompalla, Dirk, Wegener, Ansgar
Published in Journal of molecular biology (23.01.2013)
Published in Journal of molecular biology (23.01.2013)
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Role of Translocation in the Activation and Function of Protein Kinase B
Andjelkovic, Mirjana, Alessi, Dario R., Meier, Roger, Fernandez, Anne, Lamb, Ned J.C., Frech, Matthias, Cron, Peter, Cohen, Philip, Lucocq, John M., Hemmings, Brian A.
Published in The Journal of biological chemistry (12.12.1997)
Published in The Journal of biological chemistry (12.12.1997)
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High Affinity Binding of Inositol Phosphates and Phosphoinositides to the Pleckstrin Homology Domain of RAC/Protein Kinase B and Their Influence on Kinase Activity
Frech, Matthias, Andjelkovic, Mirjana, Ingley, Evan, Reddy, K. Kishta, Falck, John R., Hemmings, Brian A.
Published in The Journal of biological chemistry (28.03.1997)
Published in The Journal of biological chemistry (28.03.1997)
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Specific Interaction of a Novel Foamy Virus Env Leader Protein with the N-Terminal Gag Domain
Wilk, T, Geiselhart, V, Frech, M, Fuller, S D, Flügel, R M, Löchelt, M
Published in Journal of Virology (01.09.2001)
Published in Journal of Virology (01.09.2001)
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Estimation of Drug-Target Residence Times by τ‑Random Acceleration Molecular Dynamics Simulations
Kokh, Daria B, Amaral, Marta, Bomke, Joerg, Grädler, Ulrich, Musil, Djordje, Buchstaller, Hans-Peter, Dreyer, Matthias K, Frech, Matthias, Lowinski, Maryse, Vallee, Francois, Bianciotto, Marc, Rak, Alexey, Wade, Rebecca C
Published in Journal of chemical theory and computation (10.07.2018)
Published in Journal of chemical theory and computation (10.07.2018)
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Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
Berger, Benedict-Tilman, Amaral, Marta, Kokh, Daria B., Nunes-Alves, Ariane, Musil, Djordje, Heinrich, Timo, Schröder, Martin, Neil, Rebecca, Wang, Jing, Navratilova, Iva, Bomke, Joerg, Elkins, Jonathan M., Müller, Susanne, Frech, Matthias, Wade, Rebecca C., Knapp, Stefan
Published in Cell chemical biology (20.05.2021)
Published in Cell chemical biology (20.05.2021)
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Ligand‐Induced Conformational Changes in HSP90 Monitored Time Resolved and Label Free—Towards a Conformational Activity Screening for Drug Discovery
Güldenhaupt, Jörn, Amaral, Marta, Kötting, Carsten, Schartner, Jonas, Musil, Djordje, Frech, Matthias, Gerwert, Klaus
Published in Angewandte Chemie International Edition (26.07.2018)
Published in Angewandte Chemie International Edition (26.07.2018)
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Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors
Schuetz, Doris A, Richter, Lars, Amaral, Marta, Grandits, Melanie, Grädler, Ulrich, Musil, Djordje, Buchstaller, Hans-Peter, Eggenweiler, Hans-Michael, Frech, Matthias, Ecker, Gerhard F
Published in Journal of medicinal chemistry (24.05.2018)
Published in Journal of medicinal chemistry (24.05.2018)
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Structure of the Leech Protein Saratin and Characterization of Its Binding to Collagen
Gronwald, Wolfram, Bomke, Jörg, Maurer, Till, Domogalla, Barbara, Huber, Fritz, Schumann, Frank, Kremer, Werner, Fink, Florian, Rysiok, Thomas, Frech, Matthias, Kalbitzer, Hans Robert
Published in Journal of molecular biology (12.09.2008)
Published in Journal of molecular biology (12.09.2008)
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Zeitaufgelöst und markerfrei gemessene ligandeninduzierte Konformationsänderungen von HSP90 – hin zu einem Konformationsaktivitätsscreening für die Wirkstoffentwicklung
Güldenhaupt, Jörn, Amaral, Marta, Kötting, Carsten, Schartner, Jonas, Musil, Djordje, Frech, Matthias, Gerwert, Klaus
Published in Angewandte Chemie (26.07.2018)
Published in Angewandte Chemie (26.07.2018)
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Mutational and kinetic analyses of the GTPase-activating protein (GAP)-p21 interaction: the C-terminal domain of GAP is not sufficient for full activity
GIDEON, P, JOHN, J, FRECH, M, LAUTWEIN, A, CLARK, R, SCHEFFLER, J. E, WITTINGHOFER, A
Published in Molecular and Cellular Biology (01.05.1992)
Published in Molecular and Cellular Biology (01.05.1992)
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