Deprotonation of a Histidine Residue in Aqueous Solution Using Constrained Ab Initio Molecular Dynamics
Author:
Affiliation:
1. Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104-6323
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja027972m
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1. Estimating pKa Values for Pentaoxyphosphoranes
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3. Transport phenomena and asymmetry effects in membranes with asymmetric fixed charge distributions
4. pH and pK Determinations by High-Resolution Solid-State 13C NMR: Acid−Base and Tautomeric Equilibria of Lyophilized l-Histidine
5. Coordination numbers as reaction coordinates in constrained molecular dynamics
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