FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery von Lagorce, David, Bouslama, Lina, Becot, Jerome, Miteva, Maria A, Villoutreix, Bruno O

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Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors von Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.

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Computational investigations of hERG channel blockers: New insights and current predictive models von Villoutreix, Bruno O., Taboureau, Olivier

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FAF-Drugs3: a web server for compound property calculation and chemical library design von Lagorce, David, Sperandio, Olivier, Baell, Jonathan B, Miteva, Maria A, Villoutreix, Bruno O

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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 von Villoutreix, Bruno O, Calvez, Vincent, Marcelin, Anne-Geneviève, Khatib, Abdel-Majid

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A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces von Singh, Natesh, Villoutreix, Bruno O

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Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9 von Goldwaser, Elodie, Laurent, Catherine, Lagarde, Nathalie, Fabrega, Sylvie, Nay, Laure, Villoutreix, Bruno O, Jelsch, Christian, Nicot, Arnaud B, Loriot, Marie-Anne, Miteva, Maria A

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Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises von Singh, Natesh, Villoutreix, Bruno O.

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Toward in silico structure-based ADMET prediction in drug discovery von Moroy, Gautier, Martiny, Virginie Y., Vayer, Philippe, Villoutreix, Bruno O., Miteva, Maria A.

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FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects von Lagorce, David, Sperandio, Olivier, Galons, Hervé, Miteva, Maria A, Villoutreix, Bruno O

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The anticoagulant protein C pathway von Dahlbäck, Björn, Villoutreix, Bruno O

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Anti-Factor B Antibodies and Acute Postinfectious GN in Children von Chauvet, Sophie, Berthaud, Romain, Devriese, Magali, Mignotet, Morgane, Vieira Martins, Paula, Robe-Rybkine, Tania, Miteva, Maria A, Gyulkhandanyan, Aram, Ryckewaert, Amélie, Louillet, Ferielle, Merieau, Elodie, Mestrallet, Guillaume, Rousset-Rouvière, Caroline, Thervet, Eric, Hogan, Julien, Ulinski, Tim, Villoutreix, Bruno O, Roumenina, Lubka, Boyer, Olivia, Frémeaux-Bacchi, Véronique

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Pharmacogenomics of the cytochrome P450 2C family: impacts of amino acid variations on drug metabolism von Isvoran, Adriana, Louet, Maxime, Vladoiu, Diana Larisa, Craciun, Dana, Loriot, Marie-Anne, Villoutreix, Bruno O., Miteva, Maria A.

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iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein–protein interactions von Labbé, Céline M., Laconde, Guillaume, Kuenemann, Mélaine A., Villoutreix, Bruno O., Sperandio, Olivier

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Rationalizing the chemical space of protein–protein interaction inhibitors von Sperandio, Olivier, Reynès, Christelle H., Camproux, Anne-Claude, Villoutreix, Bruno O.

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Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods von Reynès, Christelle, Host, Hélène, Camproux, Anne-Claude, Laconde, Guillaume, Leroux, Florence, Mazars, Anne, Deprez, Benoit, Fahraeus, Robin, Villoutreix, Bruno O, Sperandio, Olivier

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Demystifying the Molecular Basis of Pyrazoloquinolinones Recognition at the Extracellular α1+/β3- Interface of the GABAA Receptor by Molecular Modeling von Singh, Natesh, Villoutreix, Bruno O.

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Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C930 von Louet, Maxime, Labbé, Céline M, Fagnen, Charline, Aono, Cassiano M, Homem-de-Mello, Paula, Villoutreix, Bruno O, Miteva, Maria A

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Breast Cancer Targeting through Inhibition of the Endoplasmic Reticulum-Based Apoptosis Regulator Nrh/BCL2L10 von Nougarede, Adrien, Popgeorgiev, Nikolay, Kassem, Loay, Omarjee, Soleilmane, Borel, Stephane, Mikaelian, Ivan, Lopez, Jonathan, Gadet, Rudy, Marcillat, Olivier, Treilleux, Isabelle, Villoutreix, Bruno O, Rimokh, Ruth, Gillet, Germain

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Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace von Singh, Natesh, Chaput, Ludovic, Villoutreix, Bruno O

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