Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative

Cavender, CE; Behara, PK; Boothroyd, S; Dotson, DL; Horton, JT; Mitchell, JA; Pulido, I; Thompson, MW; Wagner, J; Wang, L; Chodera, JD; Cole, DJ; Mobley, DL; Shirts, MR; Gilson, MK

doi:10.1016/j.bpj.2022.11.2280

Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative

Lookup NU author(s): Josh Horton ORCiD, Dr Daniel Cole ORCiD

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Author(s): Cavender CE, Behara PK, Boothroyd S, Dotson DL, Horton JT, Mitchell JA, Pulido I, Thompson MW, Wagner J, Wang L, Chodera JD, Cole DJ, Mobley DL, Shirts MR, Gilson MK

Publication type: Article

Publication status: Published

Journal: Biophysical Journal

Year: 2023

Volume: 122

Issue: 3S1

Print publication date: 10/02/2023

Acceptance date: 02/04/2022

ISSN (print): 0006-3495

ISSN (electronic): 1542-0086

Publisher: Cell Press

URL: https://doi.org/10.1016/j.bpj.2022.11.2280

DOI: 10.1016/j.bpj.2022.11.2280

PubMed id: 36784152

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Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative

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