Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors. (2019)
Attributed to:
EPSRC Flagship Software - BioSimSpace: A shared space for the community development of biomolecular simulation workflows
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1371/journal.pone.0213217
PubMed Identifier: 30861030
Publication URI: http://europepmc.org/abstract/MED/30861030
Type: Journal Article/Review
Volume: 14
Parent Publication: PloS one
Issue: 3
ISSN: 1932-6203