GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations

Published 2019 View Full Article

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Title
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations
Authors
Keywords
-
Journal
Journal of Chemical Information and Modeling
Volume 59, Issue 11, Pages 4821-4832
Publisher
American Chemical Society (ACS)
Online
2019-10-30
DOI
10.1021/acs.jcim.9b00754

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