230 citations
- Université Paris CitéFR8 papers
- Centre National de la Recherche ScientifiqueFR7 papers
- InsermFR7 papers
- Sorbonne UniversitéFR4 papers
- Université Paris Sciences et LettresFR4 papers
- Institut PasteurFR3 papers
- Sorbonne Paris CitéFR3 papers
- CERMICSFR2 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR2 papers
- École nationale des ponts et chausséesFR2 papers
- École Nationale Supérieure des Mines de ParisFR2 papers
- École Normale Supérieure de LyonFR2 papers
Showing physics.comp-phShow all
2 papers · 1 filter
physics.comp-ph2023★ 13 cited
Autoencoders for dimensionality reduction in molecular dynamics: collective variable dimension, biasing and transition states
Zineb Belkacemi, Marc Bianciotto, Herve Minoux +3
The heat shock protein 90 (Hsp90) is a molecular chaperone that controls the folding and activation of client proteins using the free energy of ATP hydrolysis. The Hsp90 active sit…
physics.comp-ph2020★ 230 cited
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani +14
Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as…