Marc Bianciotto

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Molecular Dynamics

Artificial Intelligence

Protein Protein

Top Venues

Journal of cheminformatics

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Zineb Belkacemi, Marc Bianciotto, Hervé Minoux, Tony Lelièvre, Gabriel Stoltz, Paraskevi Gkeka
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states. The Journal of chemical physics 159 (2) (2023)
Maxime Langevin, Christoph Grebner, Stefan Güssregen, Susanne Sauer, Yi Li, Hans Matter, Marc Bianciotto
Impact of Applicability Domains to Generative Artificial Intelligence. ACS omega 8 (25) (2023)
Maxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto
Explaining and avoiding failure modes in goal-directed generation of small molecules. Journal of cheminformatics 14 (1) (2022)
Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh, Rebecca C Wade, Hervé Minoux
Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics. Journal of chemical theory and computation 17 (10) (2021)