B. Canard’s team guest: Matthieu Montes, IUF, Paris -“Interactive molecular visualization and simulation, software development and selected applications”

Abstract

Matthieu Montes (PR at CNAM detached to CNRS) is an ERC fellow(2015-21 and 2022-23) and senior member of the IUF (2023-2025) with expertise on Interactive Molecular Visualization and Simulation, Drug Discovery and design and computational geometry. He is the head of the molecular modeling and drug discovery team of the Computational Quantitative and Synthetic Biology unit (CQSB) UMR7238, CNRS/Sorbonne Université. His team developed key benchmarking datasets for nuclear-receptor ligand discovery (NRLiST and NR-DBIND, including negative binding data). He introduced the “predictiveness curves” framework to assess the quality and robustness of in silico screening campaigns, bridging statistical learning with cheminformatics. Prof. Montes is co-creator of the interactive real-time molecular docking software *UDock*, and the high-performance molecular-visualization and simulation platform *VTX*, enabling rapid exploration of massive molecular systems (up to billion atoms). He has co-authored over 65 publications, 8 patents on therapeutic products in inflammation and cancer among which 1 vaccine candidate currently in clinical trials (orcid 0000-0001-5921-460X.

Simulation platform VTX. Maxime Maria, Simon Guionnière, Nicolas Dacquay, Cyprien Plateau–Holleville, Valentin Guillaume, Vincent Larroque, Jean Lardé, Yassine Naimi, Jean-Philip Piquemal, Guillaume Levieux, Nathalie Lagarde, Stéphane Mérillou, Matthieu Montes, VTX: Real-time high-performance molecular structure and dynamics visualization software, Bioinformatics, 2025; btaf295, https://doi.org/10.1093/bioinformatics/btaf295

Docking software Udock. http://udock.fr/

Abstract

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