Structural analysis of the KGD sequence loop of barbourin, an alpha-IIb-beta-3-specific disintegrin. - Hervé Minoux; Christophe Chipot; David Brown 001; Bernard Maigret (J. Comput. Aided Mol. Des., 2000)

Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol. - Michael Oberlin; Romano T. Kroemer; Vincent Mikol; Hervé Minoux; Erdogan Tastan; Nicolas Baurin (J. Chem. Inf. Model., 2012)

Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. - Daniel Robinson; Thomas Bertrand; Jean-Christophe Carry; Frank Halley; Andreas Karlsson; Magali Mathieu; Hervé Minoux; Marc-Antoine Perrin; Benoit Robert; Laurent Schio; Woody Sherman (J. Chem. Inf. Model., 2016)

Scaffold-Constrained Molecular Generation. - Maxime Langevin; Hervé Minoux; Maximilien Levesque; Marc Bianciotto (J. Chem. Inf. Model., 2020)

Isometric Stratified Ensembles: A Partial and Incremental Adaptive Applicability Domain and Consensus-Based Classification Strategy for Highly Imbalanced Data Sets with Application to Colloidal Aggregation. - Christophe Molina; Lilia Ait-Ouarab; Hervé Minoux (J. Chem. Inf. Model., 2022)

Surface ID: a geometry-aware system for protein molecular surface comparison. - Saleh Riahi; Jae Hyeon Lee; Taylor Sorenson; Shuai Wei; Sven Jager; Reza Olfati-Saber; Yanfeng Zhou; Anna Park; Maria Wendt; Hervé Minoux; Yu Qiu (Bioinform., 2023)

HyperSBINN: A Hypernetwork-Enhanced Systems Biology-Informed Neural Network for Efficient Drug Cardiosafety Assessment. - Inass Soukarieh; Gerhard Hessler; Hervé Minoux; Marcel Mohr; K. Friedemann Schmidt; Jan Wenzel; Pierre Barbillon; Hugo Gangloff; Pierre Gloaguen (CoRR, 2024)