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The Newcastle University research output collection, currently available on ePrints, will shortly be moving to a new open repository platform, Figshare. To prepare for the data migration we have paused adding new content to ePrints, and will resume once the new repository is launched. During this time you will continue to have access to ePrints (but no new content will appear). We will share updates here when available.

An Open-Source Molecular Builder and Free Energy Preparation Workflow

Lookup NU author(s): Dr Mat Bieniek, Ben Cree, Dr Rachael Pirie, Josh HortonORCiD, Dr Natalie TatumORCiD, Dr Daniel ColeORCiD

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Licence

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


Publication metadata

Author(s): Bieniek MK, Cree B, Pirie R, Horton JT, Tatum NJ, Cole DJ

Publication type: Article

Publication status: Published

Journal: Communications Chemistry

Year: 2022

Volume: 5

Print publication date: 27/10/2022

Acceptance date: 11/10/2022

Date deposited: 08/11/2022

ISSN (electronic): 2399-3669

Publisher: Springer

URL: https://doi.org/10.1038/s42004-022-00754-9

DOI: 10.1038/s42004-022-00754-9


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Funding

Funder referenceFunder name
EP/S022791/1EPSRC
EP/T022167/1
MR/T019654/1

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