Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands. - Ronan Bureau; Cyril Daveu; Isabelle Baglin; Jana Sopkova-de Oliveira Santos; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Comput. Sci., 2001)

3D-QSAR and Docking Studies of Selective GSK-3beta Inhibitors. Comparison with a Thieno[2, 3-b]pyrrolizinone Derivative, a New Potential Lead for GSK-3beta Ligands. - Elodie Lescot; Ronan Bureau; Jana Sopkova-de Oliveira Santos; Christophe Rochais; Vincent Lisowski; Jean-Charles Lancelot; Sylvain Rault (J. Chem. Inf. Model., 2005)

Definition of New Pharmacophores for Nonpeptide Antagonists of Human Urotensin-II. Comparison with the 3D-structure of Human Urotensin-II and URP. - Elodie Lescot; Jana Sopkova-de Oliveira Santos; Christophe Dubessy; Hassan Oulyadi; Aurélien Lesnard; Hubert Vaudry; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2007)

Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors. - Alban Lepailleur; Stéphane Lemaître; Xiao Feng; Jana Sopkova-de Oliveira Santos; Philippe Delagrange; Jean Boutin; Pierre Renard; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2010)

Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical Library. - Jana Sopkova-de Oliveira Santos; Aurélien Lesnard; Jean-Hugues Agondanou; Nathalie Dupont; Anne-Marie Godard; Silvia Stiebing; Christophe Rochais; Frédéric Fabis; Patrick Dallemagne; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2010)

Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics. - Jana Sopkova-de Oliveira Santos; Anne Sophie Voisin-Chiret; Gregory Burzicki; Laure Sebaoun; Muriel Sebban; Jean-François Lohier; Rémi Legay; Hassan Oulyadi; Ronan Bureau; Sylvain Rault (J. Chem. Inf. Model., 2012)

Conformation Control of Abiotic α-Helical Foldamers. - Serge Perato; Jade Fogha; Muriel Sebban; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos; Hassan Oulyadi; Sylvain Rault (J. Chem. Inf. Model., 2013)

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution. - Elke Haensele; Nawel Mele; Marija Miljak; Christopher M. Read; David C. Whitley; Lee Banting; Carla Delépée; Jana Sopkova-de Oliveira Santos; Alban Lepailleur; Ronan Bureau; Jonathan W. Essex; Timothy Clark (J. Chem. Inf. Model., 2017)

Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode. - Jade Fogha; Bogdan Marekha; Marcella De Giorgi; Anne Sophie Voisin-Chiret; Sylvain Rault; Ronan Bureau; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2017)

Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2020)

Cryptic Pockets Repository through Pocket Dynamics Tracking and Metadynamics on Essential Dynamics Space: Applications to Mcl-1. - Mohammed Benabderrahmane; Ronan Bureau; Anne Sophie Voisin-Chiret; Jana Sopkova-de Oliveira Santos (J. Chem. Inf. Model., 2021)