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Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo. (2023)

First Author: Melling OJ

Attributed to: JADE: Joint Academic Data science Endeavour funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.2c00823

PubMed Identifier: 36692215

Publication URI: http://europepmc.org/abstract/MED/36692215

Type: Journal Article/Review

Volume: 19

Parent Publication: Journal of chemical theory and computation

Issue: 3

ISSN: 1549-9618