An efficient method for the calculation of quantum mechanics/molecular mechanics free energies. (2008)
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/10.1063/1.2805379
PubMed Identifier: 18190187
Publication URI: http://europepmc.org/abstract/MED/18190187
Type: Journal Article/Review
Volume: 128
Parent Publication: The Journal of chemical physics
Issue: 1
ISSN: 0021-9606