QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidase. (2006)
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/10.1002/jcc.20446
PubMed Identifier: 16788912
Publication URI: http://europepmc.org/abstract/MED/16788912
Type: Journal Article/Review
Volume: 27
Parent Publication: Journal of computational chemistry
Issue: 12
ISSN: 0192-8651