Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and pKa Calculations

Title
Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and pKa Calculations
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 1, Pages 147-160
Publisher
American Chemical Society (ACS)
Online
2016-11-30
DOI
10.1021/acs.jctc.6b00807

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