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Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method. (2019)

First Author: Wade AD

Attributed to: Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.9b00976

PubMed Identifier: 31584802

Publication URI: http://europepmc.org/abstract/MED/31584802

Type: Journal Article/Review

Volume: 15

Parent Publication: Journal of chemical theory and computation

Issue: 11

ISSN: 1549-9618