Collective variable biases for molecular simulations
Biasing and free energy methods
Pentameric Ligand-Gated Ion Channels
- evolution: see our new molecular phylogeny of pLGICs, described in this article
- bioinformatics: see the Pro-loop database here (work in progress, feedback is welcome)
- structure and function
- modulation by lipophilic molecules, in particular...
- ...molecular mechanisms of general anesthesia
- Grace Brannigan (Rutgers Camden)
- Marc Baaden and Antoine Taly (IBPC)
- Pierre-Jean Corringer and Marc Delarue (Institut Pasteur)
Modeling of yeast mitofusin Fzo1
Collaboration with the Mickael Cohen group, Antoine Taly and Marc Baaden (IBPC).