Dissemination

Lecture notes 

      Les méthodes numériques de la dynamique moléculaire
    分 子动力学 - 观察运动中的物体
    Numerical methods for molecular dynamics
  Métodos numéricos en dinà mica molecular

 

Tutorials

  

- Free-energy perturbation calculations

- Adaptive biasing force calculations

   
- Building and editing molecules

 

Books

   
New Algorithms for Macromolecular Simulation
(Lecture Notes in Computational Science & Engineering).

Leimkuhler, B.; Chipot, C.; Elber, R.; Laaksonen, A.; Mark, A.; Schlick, T.; Schütte, C.; Skeel, R. editors.

Springer-Verlag, Berlin and Heidelberg.

    
 
 
C. Chipot and A. Pohorille, editors.

Springer-Verlag, Berlin and Heidelberg.

 

 

Recent publications


Structural Basis for Broad HIV-1 Neutralization by a Novel MPER-Specific Human Broadly Neutralizing Antibody
Dora Pinto; Craig Fenwick; Christophe Caillat; Chiara Silacci; Serafima Guseva; Francois Dehez; Christophe Chipot; Sonia Barbieri; Andrea Minola; David Jarrossay; Georgia D. Tomaras; Xiaoying Shen; Agostino Riva; Maciej Tarkowski; Olivier Schwartz; Timothee Bruel; Jeremy Dufloo; Michael S. Seaman; David C. Montefiori; Antonio Lanzavecchia; Davide Corti; Giuseppe Pantaleo; Winfried Weissenhorn;
SSRN Electronic Journal (2019)
Lysine Mutation of the Claw-Arm-Like Loop Accelerates Catalysis by Cellobiohydrolases
Zhiyou Zong; Qiyu Li; Zhangyong Hong; Haohao Fu; Wensheng Cai; Christophe Chipot; Huifeng Jiang; Dongyuan Zhang; Shulin Chen; Xueguang Shao;
Journal of the American Chemical Society (2019) 141 (36): 14451-14459
Triggering Tautomerization of Curcumin by Confinement into Liposomes
Maxime Girardon; Stephane Parant; Antonio Monari; Francois Dehez; Christophe Chipot; Ewa Rogalska; Nadia Canilho; Andreea Pasc;
ChemPhotoChem (2019) 31 (121-

News

- 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).
 

Contact

Laboratoire International Associé
CNRS-UIUC
Unité mixte de recherche n°7565
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
 
Phone: +33.(0)3.83.68.40.97
Fax: +33.(0)3.83.68.43.87
 
How to reach us