Olivier Béquignon

Publications

• Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors
• Computational Approaches for Drug-Induced Liver Injury (DILI) Prediction: State of the Art and Challenges
• Hypoxia Triggers TAZ Phosphorylation in Basal A Triple Negative Breast Cancer Cells
• Papyrus: a large-scale curated dataset aimed at bioactivity predictions
• DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space
• Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells
• UnCorrupt SMILES: a novel approach to de novo design
• Impact of cancer-associated mutations in CC chemokine receptor 2 on receptor function and antagonism
• QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool
• Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling
• CC chemokine receptor 2 is allosterically modulated by sodium ions and amiloride derivatives through a distinct sodium ion binding site
• Keep looking at the negative side: improved detection of drug-induced liver injury with non-hepatotoxicant data oversampling