Conformational Effects on the pro - S Hydrogen Abstraction Reaction in Cyclooxygenase-1: An Integrated QM/MM and MD Study (2013)
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/10.1016/j.bpj.2013.01.040
Publication URI: http://dx.doi.org/10.1016/j.bpj.2013.01.040
Type: Journal Article/Review
Parent Publication: Biophysical Journal
Issue: 5
ISSN: 0006-3495