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

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

Bibliographic Details
Main Authors: Swails, Jason M., York, Darrin M., Roitberg, Adrian E.
Format: Online
Language:English
Published: American Chemical Society 2014
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985686/

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985686/

Similar Items