Hugues Nury, Winfried Weissenhorn, Joanna Timmins

Institut de Biologie Structurale, Grenoble


Simon Scheuring

Weill Cornell Medicine, New York


Tony Lelièvre

École Nationale des Ponts et Chaussées, Paris


Emad Tajkhorshid

University of Illinois, Urbana-Champaign


Edmund Kunji

University of Cambridge


James Gumbart

GeorgiaTech, Atlanta


Fernando González-Nilo

Universidad Andrés Bello, Santiago


Benoît Roux

University of Chicago


Wensheng Cai

Nankai University, Tianjin

Paul Schanda, Leonid Sazanov

Institute of Science and Technology, Klosterneuburg



Yi Wang

Chinese University of Hong Kong



Recent publications

Free Energy Methods for the Description of Molecular Processes
Christophe Chipot;
Annual Review of Biophysics (2023) 52 (1):
A Practical Guide to Recent Advances in Multiscale Modeling and Simulation of BiomoleculesEnhanced Sampling Based on Collective Variables
Yong Wang; Ruhong Zhou; Haohao Fu; Wensheng Cai; Christophe Chipot; Xueguang Shao; (2023) 1-22
Chasing collective variables using temporal data-driven strategies
Haochuan Chen; Christophe Chipot;
QRB Discovery (2023) 413 (242-


- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on January 2021
- 新的分子动力学讲义 (Dissemination).
- Kudos to Margaret Blazhynska and Emma Goulard Coderc de Lacam on their DrEAM fellowship supporting their training in the Tajkhorshid and Gumbart research groups.


Laboratoire International Associé
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