Jérôme Hénin – Research

Current Research

Collective variable biases for molecular simulations

Implementation in NAMD, LAMMPS, GROMACS and VMD with the Collective Variables Module: collaboration with Giacomo Fiorin (NIH, MD, USA), Hubert Santuz (LBT, IBPC).

See our article, Using collective variables to drive molecular dynamics simulations, Molecular Physics' most read article with more than 12000 full-text views.

Biasing and free energy methods

Collaboration with Tony Lelièvre and Gabriel Stoltz (CERMICS, ENPC, Paris).

3D PMF for Ala10

Calculation of Standard Binding Free Energies

Collaborations with Grace Brannigan (Rutgers Camden, NJ, USA), Élise Duboué-Dijon (LBT, IBPC).

Pentameric Ligand-Gated Ion Channels

isoflurane binding to nAChR

Collaboration with Grace Brannigan (Rutgers Camden, NJ, USA), Wayland Cheng (Wash U. St Louis, MS, USA).