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CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS
(2012)
Constant-pH molecular dynamics has recently emerged as a useful technique for studying the microscopic details underlying pH dependent properties of proteins. We further develop continuous constant-pH molecular dynamics ...
CONSTANT-pH MOLECULAR DYNAMICS SIMULATIONS: DEVELOPMENT AND APPLICATIONS
(2012)
Constant-pH molecular dynamics has recently emerged as a useful technique for studying the microscopic details underlying pH dependent properties of proteins. We further develop continuous constant-pH molecular dynamics ...