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Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. (2021)

First Author: Nelson L

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