Absolute pKa 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

Volume: 7

Parent Publication: Journal of chemical theory and computation

Issue: 6

ISSN: 1549-9618