Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. (2019)
Attributed to:
The UK High-End Computing Consortium for Biomolecular Simulation
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.8b00940
PubMed Identifier: 30794388
Publication URI: http://europepmc.org/abstract/MED/30794388
Type: Journal Article/Review
Volume: 59
Parent Publication: Journal of chemical information and modeling
Issue: 5
ISSN: 1549-9596