Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6. - Virginie Y. Martiny; Pablo Carbonell; Florent Chevillard; Gautier Moroy; Arnaud B. Nicot; Philippe Vayer; Bruno O. Villoutreix; Maria A. Miteva (Bioinform., 2015)

Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets. - Edithe Selwa; Virginie Y. Martiny; Bogdan I. Iorga (J. Comput. Aided Mol. Des., 2016)

Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR 2014 Dataset. - Virginie Y. Martiny; François Martz; Edithe Selwa; Bogdan I. Iorga (J. Chem. Inf. Model., 2016)

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. - Patrick Penner; Virginie Y. Martiny; Arnaud Gohier; Marcus Gastreich; Pierre Ducrot; David Brown; Matthias Rarey (J. Chem. Inf. Model., 2020)

FastGrow: on-the-fly growing and its application to DYRK1A. - Patrick Penner; Virginie Y. Martiny; Louis Bellmann; Florian Flachsenberg; Marcus Gastreich; Isabelle Theret; Christophe Meyer; Matthias Rarey (J. Comput. Aided Mol. Des., 2022)