Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises

by Natesh Singh, Bruno O. Villoutreix
Published 2021-01-01

Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABAA Receptor by Molecular Modeling

by Natesh Singh, Natesh Singh, Bruno O. Villoutreix
Published 2020-09-01

Virtual Ligand Screening for Structure-based Drug Design: Approaches and Progress

by Olivier Sperandio, Maria A. Miteva, Bruno O. Villoutreix
Published 2007-10-01

In Silico Investigation of the New UK (B.1.1.7) and South African (501Y.V2) SARS-CoV-2 Variants with a Focus at the ACE2–Spike RBD Interface

by Bruno O. Villoutreix, Vincent Calvez, Anne-Geneviève Marcelin, Abdel-Majid Khatib
Published 2021-02-01

Tyrosine kinase syk non-enzymatic inhibitors and potential anti-allergic drug-like compounds discovered by virtual and in vitro screening.

by Bruno O Villoutreix, Guillaume Laconde, David Lagorce, Pierre Martineau, Maria A Miteva, Piona Dariavach
Published 2011-01-01

In silico mechanistic profiling to probe small molecule binding to sulfotransferases.

by Virginie Y Martiny, Pablo Carbonell, David Lagorce, Bruno O Villoutreix, Gautier Moroy, Maria A Miteva
Published 2013-01-01

Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

by Stéphanie Pérot, Leslie Regad, Christelle Reynès, Olivier Spérandio, Maria A Miteva, Bruno O Villoutreix, Anne-Claude Camproux
Published 2013-01-01

Analysis of protein missense alterations by combining sequence‐ and structure‐based methods

by Aram Gyulkhandanyan, Alireza R. Rezaie, Lubka Roumenina, Nathalie Lagarde, Veronique Fremeaux‐Bacchi, Maria A. Miteva, Bruno O. Villoutreix
Published 2020-04-01

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

by Maxime Louet, Céline M Labbé, Charline Fagnen, Cassiano M Aono, Paula Homem-de-Mello, Bruno O Villoutreix, Maria A Miteva
Published 2018-01-01

A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments

by Nathalie Lagarde, Elodie Goldwaser, Tania Pencheva, Dessislava Jereva, Ilza Pajeva, Julien Rey, Pierre Tuffery, Bruno O. Villoutreix, Maria A. Miteva
Published 2019-09-01

In silico model of the human ClC-Kb chloride channel: pore mapping, biostructural pathology and drug screening

by Maxime Louet, Sara Bitam, Naziha Bakouh, Yohan Bignon, Gabrielle Planelles, David Lagorce, Maria A. Miteva, Dominique Eladari, Jacques Teulon, Bruno O. Villoutreix
Published 2017-08-01

Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods.

by Christelle Reynès, Hélène Host, Anne-Claude Camproux, Guillaume Laconde, Florence Leroux, Anne Mazars, Benoit Deprez, Robin Fahraeus, Bruno O Villoutreix, Olivier Sperandio
Published 2010-03-01

Zebrafish ProVEGF-C expression, proteolytic processing and inhibitory effect of unprocessed ProVEGF-C during fin regeneration.

by Abdel-Majid Khatib, Rachid Lahlil, Nathalie Scamuffa, Marie-Andrée Akimenko, Sylvain Ernest, Abdderahim Lomri, Claude Lalou, Nabil G Seidah, Bruno O Villoutreix, Fabien Calvo, Geraldine Siegfried
Published 2010-01-01