Jérôme Hénin – Research

Current Research

Collective variable biases for molecular simulations

Implementation in NAMD, LAMMPS, and VMD (Collective Variables Module): Collaboration with Giacomo Fiorin (ICMS, Temple University).

See our article, Using collective variables to drive molecular dynamics simulations, Molecular Physics' most read with more than 7000 full-text views.

Biasing and free energy methods

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

3D PMF for Ala10

Pentameric Ligand-Gated Ion Channels

isoflurane binding to nAChR

Collaborations with:

Modeling of yeast mitofusin Fzo1

Collaboration with the Mickael Cohen group, Antoine Taly and Marc Baaden (IBPC).