BiophysicsBiophysical JournalPeer-reviewed
Constant-pH molecular dynamics simulations of closed and open states of a proton-gated ion channel
Anton Jansen, Paul Bauer, Rebecca J. Howard…·Erik R. 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.
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