CNRS research associates

Chris Chipot

CNRS research director

Research interests: Free-energy calculations, membrane simulations.

Personal page

François Dehez

CNRS research associate

Research interests: Membrane simulations, intermolecular potentials.

Personal page



Postdoctoral associates

Joel

Haochuan Chen

Postdoctoral fellow

Research interests: Methods development, free-energy calculations.

Personal page



Graduate students

Margaret

Margaret Blazhynska

Graduate student

Research interests: Free-energy calculations, conformational transitions.

Personal page

Emma

Emma De Lacam

Graduate student

Research interests: Free-energy calculations, protein-protein binding.

Personal page

Florence

Flo Szczepaniak

Graduate student

Research interests: Free-energy calculations, protein-protein binding.

Personal page



Administrative staff

Fabien Pascale

System administrator, HPC expert

Personal page



Former associates

Jeff Comer

Jeff Comer

Postdoctoral fellow

Research interests: Statistical mechanics simulations, free-energy calculations.

Personal page

axel_bidon_chanal

Axel Bidon-Chanal Badia

Postdoctoral fellow

Research interests: Modeling of protein-membrane interaction, free-energy calculations in biological systems, drug design.

Personal page

Nicole

Nicole Holzmann

Postdoctoral fellow

Research interests: Membrane Simulations, Bonding Analysis, EDA-NOCV

Personal page

Vijay

Vijayaraj Ramadoss

Postdoctoral fellow

Research interests: Modeling of biomolecular interactions, Free energy calculations of biological systems. Computational redesigning of enzyme specificity, Multidimensional quantitative structure activity relationship.

Personal page

Joel

Joel José Montalvo-Acosta

Postdoctoral fellow

Research interests: Membrane protein simulations.

Personal page

Francis Hoffmann

System administrator



Recent publications


Computational Assessment of Protein-Protein Binding Specificity within a Family of Synaptic Surface Receptors
Prithviraj Nandigrami; Florence Szczepaniak; Christopher T. Boughter; Francois Dehez; Christophe Chipot; Benoit Roux;
The Journal of Physical Chemistry B (2022)
Accurate Description of Solvent-Exposed Salt Bridges with a Non-polarizable Force Field Incorporating Solvent Effects
Han Liu; Haohao Fu; Christophe Chipot; Xueguang Shao; Wensheng Cai;
Journal of Chemical Information and Modeling (2022) 62 (16): 3863-3873
Perforin-2 clockwise hand-over-hand pre-pore to pore transition mechanism
Fang Jiao; Francois Dehez; Tao Ni; Xiulian Yu; Jeremy S. Dittman; Robert Gilbert; Christophe Chipot; Simon Scheuring;
Nature Communications (2022) 14 (1): 33-

News

- 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.
 

Contact

Laboratoire International Associé
CNRS-UIUC
Unité mixte de recherche n°7019
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
 
Phone: +33(0)3 72 74 50 75
 
How to reach us