Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. (2021)
Attributed to:
Application of large-scale quantum mechanical simulation to the development of future drug therapies
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.1c00328
PubMed Identifier: 33886305
Publication URI: http://europepmc.org/abstract/MED/33886305
Type: Journal Article/Review
Volume: 61
Parent Publication: Journal of chemical information and modeling
Issue: 5
ISSN: 1549-9596