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

First Author: Nelson L
Attributed to:  Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.1c00328

Publication URI: http://dx.doi.org/10.1021/acs.jcim.1c00328

Type: Journal Article/Review

Parent Publication: Journal of Chemical Information and Modeling

Issue: 5

ISSN: 1549-9596