FESetup: Automating Setup for Alchemical Free Energy Simulations. (2015)
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.jcim.5b00368
PubMed Identifier: 26544598
Publication URI: http://europepmc.org/abstract/MED/26544598
Type: Journal Article/Review
Volume: 55
Parent Publication: Journal of chemical information and modeling
Issue: 12
ISSN: 1549-9596