Molecular determinants of xenobiotic metabolism: QM/MM simulation of the conversion of 1-chloro-2,4-dinitrobenzene catalyzed by M1-1 glutathione S-transferase. (2007)
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/bi0622827
PubMed Identifier: 17480056
Publication URI: http://europepmc.org/abstract/MED/17480056
Type: Journal Article/Review
Volume: 46
Parent Publication: Biochemistry
Issue: 21
ISSN: 0006-2960