Constant pH Replica Exchange Molecular Dynamics in Explicit...

Journal of Chemical Theory and Computation 2014 / 03 Vol. 10; Iss. 3

Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation

Swails, Jason M., York, Darrin M., Roitberg, Adrian E.
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Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct401042b
Date:
March, 2014
File:
PDF, 3.84 MB
english, 2014
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