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Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization At Scale

Lookup NU author(s): Josh HortonORCiD, Dr Daniel ColeORCiD

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This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).

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Author(s): Horton JT, Boothroyd S, Wagner J, Mitchell JA, Gokey T, Dotson DL, Behara PK, Ramaswamy VK, Mackey M, Chodera JD, Anwar J, Mobley DL, Cole DJ

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Information and Modeling

Year: 2022

Volume: 62

Issue: 22

Pages: 5622-5633

Print publication date: 28/11/2022

Online publication date: 09/11/2022

Acceptance date: 31/10/2022

Date deposited: 08/12/2022

ISSN (print): 1549-9596

ISSN (electronic): 1549-960X

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.jcim.2c01153

DOI: 10.1021/acs.jcim.2c01153

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