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Absolute p K a Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation (2011)

First Author: Mangold M

Attributed to: Ab initio molecular dynamics simulation of electron and proton transfer funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/ct100715x

PubMed Identifier: 26596456

Publication URI: http://europepmc.org/abstract/MED/26596456

Type: Journal Article/Review

Parent Publication: Journal of Chemical Theory and Computation

Issue: 6

ISSN: 1549-9618