Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants. (2017)
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/acs.jctc.6b01131
PubMed Identifier: 28103023
Publication URI: http://europepmc.org/abstract/MED/28103023
Type: Journal Article/Review
Volume: 13
Parent Publication: Journal of chemical theory and computation
Issue: 2
ISSN: 1549-9618