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Chemical accuracy in QM/MM calculations on enzyme-catalysed reactions (2007)

First Author: Mulholland A

Attributed to: Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1186/1752-153x-1-19

PubMed Identifier: 17880750

Publication URI: http://europepmc.org/abstract/MED/17880750

Type: Journal Article/Review

Parent Publication: Chemistry Central Journal

Issue: 1

ISSN: 1752-153X