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Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols (2022)

First Author: Bhati A

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

Parent Publication: Journal of Chemical Theory and Computation

Issue: 4

ISSN: 1549-9618