Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation. (2011)
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