Multiscale Reactive Molecular Dynamics for Absolute pKa Predictions and Amino Acid Deprotonation

Published 2014 View Full Article

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Title
Multiscale Reactive Molecular Dynamics for Absolute pKa Predictions and Amino Acid Deprotonation
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 7, Pages 2729-2737
Publisher
American Chemical Society (ACS)
Online
2014-05-07
DOI
10.1021/ct500250f

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