Proton transfer and conformational changes along the hydrogen bond network in heliorhodopsin

QM/MM and MD simulations reveal the proton transfer pathway and induced structural changes along the hydrogen bond network in heliorhodopsin 48C12.

Bibliographic Details
Main Authors: Masaki Tsujimura, Yoshihiro Chiba, Keisuke Saito, Hiroshi Ishikita
Format: Article
Language:English
Published: Nature Portfolio 2022-12-01
Series:Communications Biology
Online Access:https://doi.org/10.1038/s42003-022-04311-x