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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Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1‑{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3‑b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844)
Ugolini, Antonio, Kenigsberg, Mireille, Rak, Alexey, Vallée, Francois, Houtmann, Jacques, Lowinski, Maryse, Capdevila, Cécile, Khider, Jean, Albert, Eva, Martinet, Nathalie, Nemecek, Conception, Grapinet, Sandrine, Bacqué, Eric, Roesner, Manfred, Delaisi, Christine, Calvet, Loreley, Bonche, Fabrice, Semiond, Dorothée, Egile, Coumaran, Goulaouic, Hélène, Schio, Laurent
Published in Journal of medicinal chemistry (11.08.2016)
Published in Journal of medicinal chemistry (11.08.2016)
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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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Abstract 4867: Using a fragment based approach for the identification of TEAD S3 pocket binders
Delarbre, Laure, Venier, Olivier, Valtingojer, Iris, Houtmann, Jacques, Lowinski, Maryse, Parent, Annick, Bégassat, Françoise, Lasbleiz, Angelique, Seys, Catherine, Bombart, Philippe, Debussche, Laurent, Rak, Alexey
Published in Cancer research (Chicago, Ill.) (15.08.2020)
Published in Cancer research (Chicago, Ill.) (15.08.2020)
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KRAS G12C fragment screening renders new binding pockets
Mathieu, Magali, Steier, Valérie, Fassy, Florence, Delorme, Cécile, Papin, David, Genet, Bruno, Duffieux, Francis, Bertrand, Thomas, Delarbre, Laure, Le-Borgne, Hélène, Parent, Annick, Didier, Patrick, Marquette, Jean-Pierre, Lowinski, Maryse, Houtmann, Jacques, Lamberton, Annabelle, Debussche, Laurent, Alexey, Rak
Published in Small GTPases (2022)
Published in Small GTPases (2022)
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The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1
Amaning, Kwame, Lowinski, Maryse, Vallee, Francois, Steier, Valerie, Marcireau, Christophe, Ugolini, Antonio, Delorme, Cecile, Foucalt, Frédéric, McCort, Gary, Derimay, Nathalie, Andouche, Cyrielle, Vougier, Stephanie, Llopart, Sylvie, Halland, Nis, Rak, Alexey
Published in Bioorganic & medicinal chemistry letters (15.06.2013)
Published in Bioorganic & medicinal chemistry letters (15.06.2013)
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Abstract 4648: In vitro characterization of spiro-oxindole-based modulators of the MDM2-p53 interaction and their interspecies selectivity
Delaisi, Christine, Meaux, Isabelle, Dos-Santos, Odette, Barrière, Cédric, Duffieux, Francis, Hoffmann, Dietmar, Rak, Alexey, Wolfrom, Meredith, Flèche, Frédéric, Zhou-Liu, Qing, Lalleman, Véronique, Bégassat, Françoise, Lowinski, Maryse, Besnard, Sophie, Chalain, Dominique De, Bastien, Hélène, Gorge-Bernat, Dimitri, Pannier, Pascal, Ratet, Nathalie, D'Agostino, Stéphane, Sanchez, Isabelle, Watters, James, Licht, Stuart, Cheng, Hong, Leopold, Lance, Lengauer, Christoph, Wang, Shaomeng, Garcia-Echeverria, Carlos, Debussche, Laurent
Published in Cancer research (Chicago, Ill.) (15.04.2012)
Published in Cancer research (Chicago, Ill.) (15.04.2012)
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UMP kinase from Streptococcus pneumoniae: evidence for co-operative ATP binding and allosteric regulation
Fassy, Florence, Krebs, Odile, Lowinski, Maryse, Ferrari, Paul, Winter, Jacques, Collard-Dutilleul, Véronique, Salahbey Hocini, Khadidja
Published in Biochemical journal (15.12.2004)
Published in Biochemical journal (15.12.2004)
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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 arXiv.org (09.11.2019)
Published in arXiv.org (09.11.2019)
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