Estimation of Drug-Target Residence Times by τ‑Random Acceleration Molecular Dynamics Simulations von 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

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Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects von Schindler, Christina E. M, Baumann, Hannah, Blum, Andreas, Böse, Dietrich, Buchstaller, Hans-Peter, Burgdorf, Lars, Cappel, Daniel, Chekler, Eugene, Czodrowski, Paul, Dorsch, Dieter, Eguida, Merveille K. I, Follows, Bruce, Fuchß, Thomas, Grädler, Ulrich, Gunera, Jakub, Johnson, Theresa, Jorand Lebrun, Catherine, Karra, Srinivasa, Klein, Markus, Knehans, Tim, Koetzner, Lisa, Krier, Mireille, Leiendecker, Matthias, Leuthner, Birgitta, Li, Liwei, Mochalkin, Igor, Musil, Djordje, Neagu, Constantin, Rippmann, Friedrich, Schiemann, Kai, Schulz, Robert, Steinbrecher, Thomas, Tanzer, Eva-Maria, Unzue Lopez, Andrea, Viacava Follis, Ariele, Wegener, Ansgar, Kuhn, Daniel

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Cryo-EM Structures of CRAF2/14-3-32 and CRAF2/14-3-32/MEK12 Complexes von Dedden, Dirk, Nitsche, Julius, Schneider, Elisabeth V., Thomsen, Maren, Schwarz, Daniel, Leuthner, Birgitta, Grädler, Ulrich

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Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors von Grädler, Ulrich, Busch, Michael, Leuthner, Birgitta, Raba, Michael, Burgdorf, Lars, Lehmann, Martin, Linde, Nina, Esdar, Christina

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Identification of M4205A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors von Blum, Andreas, Dorsch, Dieter, Linde, Nina, Brandstetter, Susanne, Buchstaller, Hans-Peter, Busch, Michael, Glaser, Nina, Grädler, Ulrich, Ruff, Aaron, Petersson, Carl, Schieferstein, Hanno, Sherbetjian, Eva, Esdar, Christina

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Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding von Grädler, Ulrich, Schwarz, Daniel, Wegener, Ansgar, Eichhorn, Thomas, Bandeiras, Tiago M, Freitas, Micael C, Lammens, Alfred, Ganichkin, Oleg, Augustin, Martin, Minguzzi, Stefano, Becker, Frank, Bomke, Jörg

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Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors von Dorsch, Dieter, Schadt, Oliver, Stieber, Frank, Meyring, Michael, Grädler, Ulrich, Bladt, Friedhelm, Friese-Hamim, Manja, Knühl, Christine, Pehl, Ulrich, Blaukat, Andree

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Abstract 1482: M4645 is a potent and highly selective inhibitor of disease relevant cKIT mutations for the treatment of metastatic or recurrent GIST von Linde, Nina, Blum, Andreas, Dorsch, Dieter, Graedler, Ulrich, Busch, Michael, Glaser, Nina, Petersson, Carl, Ruff, Aaron, Sherbetjian, Eva, Esdar, Christina

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Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies von Grädler, Ulrich, Schwarz, Daniel, Blaesse, Michael, Leuthner, Birgitta, Johnson, Theresa L., Bernard, Frederic, Jiang, Xuliang, Marx, Andreas, Gilardone, Marine, Lemoine, Hugues, Roche, Didier, Jorand-Lebrun, Catherine

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Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors von Schuetz, Doris A, Richter, Lars, Amaral, Marta, Grandits, Melanie, Grädler, Ulrich, Musil, Djordje, Buchstaller, Hans-Peter, Eggenweiler, Hans-Michael, Frech, Matthias, Ecker, Gerhard F

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MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core von Schröder, Martin, Leiendecker, Matthias, Grädler, Ulrich, Braun, Juliane, Blum, Andreas, Wanior, Marek, Berger, Benedict-Tilman, Krämer, Andreas, Müller, Susanne, Esdar, Christina, Knapp, Stefan, Heinrich, Timo

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Abstract 3500: Highly potent and selective ATM kinase inhibitor M4076: A clinical candidate drug with strong anti-tumor activity in combination therapies von Fuchss, Thomas, Graedler, Ulrich, Schiemann, Kai, Kuhn, Daniel, Kubas, Holger, Dahmen, Heike, Zimmermann, Astrid, Zenke, Frank, Blaukat, Andree

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Fragment-Based Discovery of New Highly Substituted 1H‑Pyrrolo[2,3‑b]- and 3H‑Imidazolo[4,5‑b]‑Pyridines as Focal Adhesion Kinase Inhibitors von Heinrich, Timo, Seenisamy, Jeyaprakashnarayanan, Emmanuvel, Lourdusamy, Kulkarni, Santosh S, Bomke, Jörg, Rohdich, Felix, Greiner, Hartmut, Esdar, Christina, Krier, Mireille, Grädler, Ulrich, Musil, Djordje

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Structural and Biophysical Characterization of the Syk Activation Switch von Grädler, Ulrich, Schwarz, Daniel, Dresing, Verena, Musil, Djordje, Bomke, Jörg, Frech, Matthias, Greiner, Hartmut, Jäkel, Stefan, Rysiok, Thomas, Müller-Pompalla, Dirk, Wegener, Ansgar

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Structure-based optimization of non-peptidic Cathepsin D inhibitors von Grädler, Ulrich, Czodrowski, Paul, Tsaklakidis, Christos, Klein, Markus, Werkmann, Daniela, Lindemann, Sven, Maskos, Klaus, Leuthner, Birgitta

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Fragment-based discovery of focal adhesion kinase inhibitors von Grädler, Ulrich, Bomke, Jörg, Musil, Djordje, Dresing, Verena, Lehmann, Martin, Hölzemann, Günter, Greiner, Hartmut, Esdar, Christina, Krier, Mireille, Heinrich, Timo

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Discovery of novel 7-azaindoles as PDK1 inhibitors von Wucherer-Plietker, Margarita, Merkul, Eugen, Müller, Thomas J.J., Esdar, Christina, Knöchel, Thorsten, Heinrich, Timo, Buchstaller, Hans-Peter, Greiner, Hartmut, Dorsch, Dieter, Finsinger, Dirk, Calderini, Michel, Bruge, David, Grädler, Ulrich

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Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights von Grädler, Ulrich, Fuchß, Thomas, Ulrich, Wolf-Rüdiger, Boer, Rainer, Strub, Andreas, Hesslinger, Christian, Anézo, Céline, Diederichs, Kay, Zaliani, Andrea

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Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling-TMS-deprotection-CuAAC sequence von Merkul, Eugen, Klukas, Fabian, Dorsch, Dieter, Grädler, Ulrich, Greiner, Hartmut E, Müller, Thomas J J

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Extract2Chip—Bypassing Protein Purification in Drug Discovery Using Surface Plasmon Resonance von Paiva, Ana C. F., Lemos, Ana R., Busse, Philipp, Martins, Madalena T., Silva, Diana O., Freitas, Micael C., Santos, Sandra P., Freire, Filipe, Barrey, Evelyne J., Manival, Xavier, Koetzner, Lisa, Heinrich, Timo, Wegener, Ansgar, Grädler, Ulrich, Bandeiras, Tiago M., Schwarz, Daniel, Sousa, Pedro M. F.

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