Éva Pebay-Peyroula, Paul Schanda, Winfried Weissenhorn

Institut de Biologie Structurale, Grenoble


Simon Scheuring

Université d'Aix-Marseille, Marseille


Tony Lelièvre

École Nationale des Ponts et Chaussées, Paris


Emad Tajkhorshid

University of Illinois, Urbana-Champaign


Jeffrey Comer

Kansas State University, Manhattan


James Gumbart

GeorgiaTech, Atlanta


John Rubinstein

Hospital for sick children, Toronto


Benoît Roux

University of Chicago


Wensheng Cai

Nankai University, Tianjin

Leonid Sazanov

Institute of Science and Technology, Klosterneuburg



Yi Wang

Chinese University of Hong Kong



Recent publications

The lubricating role of water in the shuttling of rotaxanes
Haohao Fu; Xueguang Shao; Christophe Chipot; Wensheng Cai;
Chem. Sci. (2017) 139 (7): 293-5094

The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations
Tanfeng Zhao; Haohao Fu; Tony Lelievre; Xueguang Shao; Christophe Chipot; Wensheng Cai;
Journal of Chemical Theory and Computation (2017) 13 (4): 1566-1576

Tribute to Klaus Schulten
Emad Tajkhorshid; Christophe Chipot;
The Journal of Physical Chemistry B (2017) 121 (15): 3203-3205


- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on November 2016
- An update of ParseFEP is available in the latest version of VMD.
- 新的分子动力学讲义 (Dissemination).


Laboratoire International Associé
Unité mixte de recherche n°7565
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
Phone: +33.(0)
Fax: +33.(0)
How to reach us