String method solution of the gating pathways for a pentameric ligand-gated ion channel
String method solution of the gating pathways for a pentameric ligand-gated ion channel
B. Lev,Samuel Murail,4 Authors,T. Allen
2017 · DOI: 10.1073/pnas.1617567114
Proceedings of the National Academy of Sciences of the United States of America · 69 Citations
TLDR
The mechanisms of allosteric channel gating are described using string method simulations, applied to a complete atomistic ion channel, combined with a transition analysis approach to extract free-energy surfaces from swarms of trajectories.