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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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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EMD 1214063 and EMD 1204831 Constitute a New Class of Potent and Highly Selective c-Met Inhibitors von BLADT, Friedhelm, FADEN, Bettina, PEHL, Ulrich, STIEBER, Frank, SCHADT, Oliver, BLAUKAT, Andree, FRIESE-HAMIM, Manja, KNUEHL, Christine, WILM, Claudia, FITTSCHEN, Claus, GRÄDLER, Ulrich, MEYRING, Michael, DORSCH, Dieter, JAEHRLING, Frank

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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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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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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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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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Allosteric IGF-1R Inhibitors von Heinrich, Timo, Grädler, Ulrich, Böttcher, Henning, Blaukat, Andree, Shutes, Adam

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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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Corrigendum to “Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors” [Bioorg. Med. Chem. Lett. 30 (2020) 127551] von Grädler, Ulrich, Busch, Michael, Leuthner, Birgitta, Raba, Michael, Burgdorf, Lars, Lehmann, Martin, Linde, Nina, 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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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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Cryo-EM structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 complexes von Dedden, Dirk, Nitsche, Julius, Schneider, Elisabeth V, Thomsen, Maren, Schwarz, Daniel, Leuthner, Birgitta, Grädler, Ulrich

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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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