Marc Bianciotto
5PUBLICATIONS
15CO-AUTHORS
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Publications (5)
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|Mar 11, 2025
Harnessing Medicinal Chemical Intuition from Collective Intelligence.Pierre Llompart, Kwame Amaning, Marc Bianciotto
|Jul 11, 2023
Autoencoders for dimensionality reduction in molecular dynamics: Collective variable dimension, biasing, and transition states.Zineb Belkacemi, Marc Bianciotto, Hervé Minoux
|Jul 03, 2023
Impact of Applicability Domains to Generative Artificial Intelligence.Maxime Langevin, Christoph Grebner, Stefan Güssregen
|Apr 02, 2022
Explaining and avoiding failure modes in goal-directed generation of small molecules.Maxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto
|Sep 08, 2021
Contact Map Fingerprints of Protein-Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics.Marc Bianciotto, Paraskevi Gkeka, Daria B Kokh
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Frequent Collaborators
3 joint publications
Paraskevi Gkeka
1 joint publications
Daria B Kokh
1 joint publications
Rebecca C Wade
1 joint publications
Maxime Langevin
1 joint publications
Stefan Güssregen
1 joint publications
Hans Matter
1 joint publications
Zineb Belkacemi
1 joint publications
Hervé Minoux
1 joint publications
Tony Lelièvre
1 joint publications
Gabriel Stoltz
