Constant-pH molecular dynamics simulations of closed and open states of a proton-gated ion channel
A. Jansen, P. Bauer, R. J. Howard, B. Hess, E. Lindahl
This paper uses constant-pH molecular dynamics simulations to study pH-mediated conformational changes in the GLIC ion channel, identifying pH-sensitive residues and state-dependent pKa shifts.
bioRxiv · Nov 30, 2023 · PreprintBiophysics