332 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- École Normale Supérieure Paris-SaclayFR60 papers
- École Normale Supérieure - PSLFR47 papers
- Centre National de la Recherche ScientifiqueFR38 papers
- Université Paris-SaclayFR31 papers
- CentraleSupélecFR9 papers
- Laboratoire Méthodes FormellesFR8 papers
- Centre BorelliFR7 papers
- Institut national de recherche en sciences et technologies du numériqueFR5 papers
- Laboratoire de Mécanique Paris-SaclayFR5 papers
- Laboratoire Interdisciplinaire des Sciences du NumériqueFR5 papers
- University of CambridgeGB5 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR4 papers
Showing 2016Show all
2 papers · 1 filter
physics.chem-ph2016★ 150 cited
Challenges in Large Scale Quantum Mechanical Calculations
Laura E. Ratcliff, Stephan Mohr, Georg Huhs +3
During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made…
q-bio.QM2016★ 25 cited
Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis
G Moroy, O Sperandio, S Rielland +5
Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual scr…