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Alchemical Free Energy Estimators and Molecular Dynamics Engines: Accuracy, Precision, and Reproducibility. (2022)

First Author: Wade AD
Attributed to:  UK Consortium on Mesoscale Engineering Sciences (UKCOMES) funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.2c00114

PubMed Identifier: 35609233

Publication URI: http://europepmc.org/abstract/MED/35609233

Type: Journal Article/Review

Volume: 18

Parent Publication: Journal of chemical theory and computation

Issue: 6

ISSN: 1549-9618