Effects of Dispersion in Density Functional Based Quantum Mechanical/Molecular Mechanical Calculations on Cytochrome P450 Catalyzed Reactions. (2012)
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/ct300329h
PubMed Identifier: 26605619
Publication URI: http://europepmc.org/abstract/MED/26605619
Type: Journal Article/Review
Volume: 8
Parent Publication: Journal of chemical theory and computation
Issue: 11
ISSN: 1549-9618