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Methods in Molecular Biology (Clifton, N.J.)|September 13, 2023
Molecular Dynamics and Other HPC Simulations for Drug DiscoveryMartin Kotev, Constantino Diaz GonzalezMethods in Molecular Biology (Clifton, N.J.)|February 5, 2020
User-Friendly Quantum Mechanics: Applications for Drug DiscoveryMartin Kotev, Laurie Sarrat, Constantino Diaz GonzalezMethods in Molecular Biology (Clifton, N.J.)|November 3, 2021
Artificial Intelligence, Machine Learning, and Deep Learning in Real-Life Drug Design CasesChristophe Muller, Obdulia Rabal, Constantino Diaz GonzalezMethods in Molecular Biology (Clifton, N.J.)|December 1, 2017
Modeling and Deorphanization of Orphan GPCRsConstantino Diaz, Patricia Angelloz-Nicoud, Emilie PihanJournal of Computer-Aided Molecular Design|November 20, 2021
Fine tuning for success in structure-based virtual screeningEmilie Pihan, Martin Kotev, Obdulia Rabal, et al.Bioinformatics Advances|January 26, 2023
A toolkit for covalent docking with GOLD: from automated ligand preparation with KNIME to bound protein-ligand complexesLaurianne David, Anissa Mdahoma, Natesh Singh, et al.Proteins|May 27, 2004
Toward the active conformations of rhodopsin and the beta2-adrenergic receptorPaul R Gouldson, Nathan J Kidley, Robert P Bywater, et al.Proteins|August 2, 2014
Virtual screening on an α-helix to β-strand switchable region of the FGFR2 extracellular domain revealed positive and negative modulatorsConstantino Diaz, Herbert Corentin, Vermat Thierry, et al.Molecular Informatics|July 29, 2016
Differential Virtual Screening (DVS) with Active and Inactive Molecular Models for Finding and Profiling GPCR Modulators: Case of the CCK1 ReceptorConstantino Diaz, Pascal Leplatois, Patricia Angelloz-Nicoud, et al.Science Translational Medicine|May 17, 2013
Targeting the TLR co-receptor CD14 with TLR2-derived peptides modulates immune responses to pathogensAnne-Catherine Raby, Benjamin Holst, Emmanuel Le Bouder, et al.Pageof 2