QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. (2019)
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.8b00767
PubMed Identifier: 30742438
Publication URI: http://europepmc.org/abstract/MED/30742438
Type: Journal Article/Review
Volume: 59
Parent Publication: Journal of chemical information and modeling
Issue: 4
ISSN: 1549-9596