Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration. (2017)
Attributed to:
UK Consortium on Mesoscale Engineering Sciences (UKCOMES)
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00979
PubMed Identifier: 27997169
Publication URI: http://europepmc.org/abstract/MED/27997169
Type: Journal Article/Review
Volume: 13
Parent Publication: Journal of chemical theory and computation
Issue: 1
ISSN: 1549-9618