David Lagorce

发表

MTiOpenScreen: a web server for structure-based virtual screening

Pierre Tufféry, Olivier Sperandio, Céline M. Labbé, 2015, Nucleic Acids Res..

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections

Pierre Tufféry, Olivier Sperandio, David Lagorce, 2011, Bioinform..

iPPI-DB: an online database of modulators of protein–protein interactions

Olivier Sperandio, Gert Vriend, Céline M. Labbé, 2015, Nucleic Acids Res..

In Silico ADME/Tox Predictions

Olivier Sperandio, Anne-Claude Camproux, David Lagorce, 2010 .

Pan-assay interference compounds (PAINS) that may not be too painful for chemical biology projects.

Maria A Miteva, Bruno O Villoutreix, David Lagorce, 2017, Drug discovery today.

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2013, Drug discovery today.

Chemical Libraries for Virtual Screening

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2011 .

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2008, BMC Bioinformatics.

BMC Bioinformatics BioMed Central Methodology article AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

Tania Pencheva, David Lagorce, Bruno O. Villoutreix, 2022 .

FAF‐Drugs4: free ADME‐tox filtering computations for chemical biology and early stages drug discovery

David Lagorce, Jérôme Bécot, Bruno O. Villoutreix, 2017, Bioinform..

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances.

Olivier Sperandio, Céline M. Labbé, David Lagorce, 2015, Progress in biophysics and molecular biology.

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

Olivier Sperandio, David Lagorce, Bruno O. Villoutreix, 2015, Nucleic Acids Res..

Fr-PPIChem: An academic compound library dedicated to protein-protein interactions.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2020, ACS chemical biology.

Free resources to assist structure-based virtual ligand screening experiments.

Olivier Sperandio, Maria A Miteva, Bruno O Villoutreix, 2007, Current protein & peptide science.

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

Maria A Miteva, Bruno O Villoutreix, Tania Pencheva, 2009, BMC chemical biology.

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

David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, 2008, BMC Bioinformatics.

Three-dimensional structure generators of drug-like compounds: DG-AMMOS, an open-source package

David Lagorce, Bruno O Villoutreix, Maria A Miteva, 2011, Expert opinion on drug discovery.

The Human Phenotype Ontology in 2021

Christopher G Chute, Damian Smedley, Yongqun He, 2020, Nucleic Acids Res..

Tyrosine Kinase Syk Non-Enzymatic Inhibitors and Potential Anti-Allergic Drug-Like Compounds Discovered by Virtual and In Vitro Screening

David Lagorce, Bruno O. Villoutreix, Maria A. Miteva, 2011, PloS one.

Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach

Zhe Zhang, Emil Alexov, David Lagorce, 2014, PloS one.

In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.

Florent Chevillard, Philippe Vayer, Maria A Miteva, 2012, Molecular pharmaceutics.

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

Dominique Douguet, David Lagorce, Bruno O. Villoutreix, 2017, Scientific Reports.

Hepatitis B virus-related insertional mutagenesis occurs frequently in human liver cancers and recurrently targets human telomerase gene

Yoshiki Murakami, David Lagorce, Claude Mugnier, 2003, Oncogene.

Drug-Like Protein–Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology

Jean-Luc Poyet, Olivier Sperandio, Maria A Miteva, 2014, Molecular informatics.