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Computation of Protein-Ligand Binding Free Energies using Quantum Mechanical Bespoke Force Fields

Lookup NU author(s): Dr Daniel ColeORCiD

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This is the authors' accepted manuscript of an article that has been published in its final definitive form by Royal Society of Chemistry, 2019.

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Author(s): Cole DJ, Cabeza de Vaca I, Jorgensen WL

Publication type: Article

Publication status: Published

Journal: MedChemComm

Year: 2019

Volume: 10

Issue: 7

Pages: 1116-1120

Print publication date: 01/07/2019

Online publication date: 27/02/2019

Acceptance date: 26/02/2019

Date deposited: 27/02/2019

ISSN (print): 2040-2503

ISSN (electronic): 2040-2511

Publisher: Royal Society of Chemistry

URL: https://doi.org/10.1039/C9MD00017H

DOI: 10.1039/C9MD00017H

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