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A transferable double exponential potential for condensed phase simulations of small molecules

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).


Publication metadata

Author(s): Horton JT, Boothroyd S, Behara PK, Mobley DL, Cole DJ

Publication type: Article

Publication status: Published

Journal: Digital Discovery

Year: 2023

Volume: 2

Issue: 4

Pages: 1178-1187

Print publication date: 01/08/2023

Online publication date: 10/07/2023

Acceptance date: 07/07/2023

Date deposited: 10/08/2023

ISSN (electronic): 2635-098X

Publisher: Royal Society of Chemistry

URL: https://doi.org/10.1039/D3DD00070B

DOI: 10.1039/D3DD00070B


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Funding

Funder referenceFunder name
EPSRC
EP/T022167/1
National Institutes of Health
MR/T019654/1
NIGMS R01GM132386
UKRI Future Leaders Fellowship

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