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Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies. (2013)

First Author: Fox SJ

Attributed to: Support for the UK Car-Parrinello Consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jp404518r

PubMed Identifier: 23841453

Publication URI: http://europepmc.org/abstract/MED/23841453

Type: Journal Article/Review

Volume: 117

Parent Publication: The journal of physical chemistry. B

Issue: 32

ISSN: 1520-5207