Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols. (2022)
Attributed to:
Software Environment for Actionable & VVUQ-evaluated Exascale Applications (SEAVEA)
funded by
SPF
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c01288
PubMed Identifier: 35293737
Publication URI: http://europepmc.org/abstract/MED/35293737
Type: Journal Article/Review
Volume: 18
Parent Publication: Journal of chemical theory and computation
Issue: 4
ISSN: 1549-9618