High level QM/MM modeling of the formation of the tetrahedral intermediate in the acylation of wild type and K73A mutant TEM-1 class A beta-lactamase. (2009)
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/10.1021/jp9037254
PubMed Identifier: 19791786
Publication URI: http://europepmc.org/abstract/MED/19791786
Type: Journal Article/Review
Volume: 113
Parent Publication: The journal of physical chemistry. A
Issue: 43
ISSN: 1089-5639