Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABA(A) Receptor by Molecular Modeling

द्वारा Singh, Natesh, Villoutreix, Bruno O.
में प्रकाशित Front Pharmacol (2020)

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

द्वारा Singh, Natesh, Villoutreix, Bruno O.
में प्रकाशित Comput Struct Biotechnol J (2021)

Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace

द्वारा Singh, Natesh, Chaput, Ludovic, Villoutreix, Bruno O
में प्रकाशित Brief Bioinform (2020)

PCE: web tools to compute protein continuum electrostatics

द्वारा Miteva, Maria A., Tufféry, Pierre, Villoutreix, Bruno O.
प्रकाशित 2005

Rigorous sampling of docking poses unveils binding hypothesis for the halogenated ligands of L-type Amino acid Transporter 1 (LAT1)

द्वारा Singh, Natesh, Villoutreix, Bruno O., Ecker, Gerhard F.
में प्रकाशित Sci Rep (2019)

MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

द्वारा Sauton, Nicolas, Lagorce, David, Villoutreix, Bruno O, Miteva, Maria A
प्रकाशित 2008

DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

द्वारा Lagorce, David, Pencheva, Tania, Villoutreix, Bruno O, Miteva, Maria A
प्रकाशित 2009

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

द्वारा Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.
में प्रकाशित Sci Rep (2017)

Expression and Functional Characterization of Two Natural Heparin-binding Site Variants of Antithrombin

द्वारा Dinarvand, Peyman, Yang, Likui, Villoutreix, Bruno O., Rezaie, Alireza R.
में प्रकाशित J Thromb Haemost (2018)

Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages

द्वारा Singh, Natesh, Decroly, Etienne, Khatib, Abdel-Majid, Villoutreix, Bruno O.
में प्रकाशित Eur J Pharm Sci (2020)

Role of Gly197 in the structure and function of protein C

द्वारा Lu, Yeling, Biswas, Indranil, Villoutreix, Bruno O., Rezaie, Alireza R.
में प्रकाशित Biochim Biophys Acta Gen Subj (2021)

A leap into the chemical space of protein-protein interaction inhibitors

द्वारा Villoutreix, Bruno O., Labbé, Céline, Lagorce, David, Laconde, Guillaume, Sperandio, Olivier
प्रकाशित 2012

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

द्वारा Villoutreix, Bruno O., Calvez, Vincent, Marcelin, Anne-Geneviève, Khatib, Abdel-Majid
में प्रकाशित Int J Mol Sci (2021)

Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities

द्वारा Villoutreix, Bruno O, Krishnamoorthy, Rajagopal, Tamouza, Ryad, Leboyer, Marion, Beaune, Philippe
में प्रकाशित Adv Appl Bioinform Chem (2021)

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects

द्वारा Lagorce, David, Sperandio, Olivier, Galons, Hervé, Miteva, Maria A, Villoutreix, Bruno O
प्रकाशित 2008

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

द्वारा Pencheva, Tania, Lagorce, David, Pajeva, Ilza, Villoutreix, Bruno O, Miteva, Maria A
प्रकाशित 2008

Prevention of COVID-19 by drug repurposing: rationale from drugs prescribed for mental disorders

द्वारा Villoutreix, Bruno O., Beaune, Philippe H., Tamouza, Ryad, Krishnamoorthy, Rajagopal, Leboyer, Marion
में प्रकाशित Drug Discov Today (2020)

FAF-Drugs3: a web server for compound property calculation and chemical library design

द्वारा Lagorce, David, Sperandio, Olivier, Baell, Jonathan B., Miteva, Maria A., Villoutreix, Bruno O.
में प्रकाशित Nucleic Acids Res (2015)

FAF-Drugs: free ADME/tox filtering of compound collections

द्वारा Miteva, Maria A., Violas, Stephanie, Montes, Matthieu, Gomez, David, Tuffery, Pierre, Villoutreix, Bruno O.
प्रकाशित 2006

Structural stability and heat-induced conformational change of two complement inhibitors: C4b-binding protein and factor H

द्वारा Kask, Lena, Villoutreix, Bruno O., Steen, Mårten, Ramesh, Bala, Dahlbäck, Björn, Blom, Anna M.
प्रकाशित 2004