Toggle Main Menu Toggle Search

Open Access padlockePrints

Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations

Lookup NU author(s): Lauren Nelson, Chris Ringrose, Josh Horton, Dr Vadiraj Kurdekar, Dr Daniel Cole

Downloads

The full text of this item is currently under embargo and cannot be made publicly available until 22/04/2022.


Publication metadata

Author(s): Nelson L, Bariami S, Ringrose C, Horton JT, Kurdekar V, Mey ASJS, Michel J, Cole DJ

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Information and Modeling

Year: 2021

Pages: epub ahead of print

Online publication date: 22/04/2021

Acceptance date: 15/04/2021

Date deposited: 16/04/2021

ISSN (print): 1549-9596

ISSN (electronic): 1549-960X

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.jcim.1c00328

DOI: 10.1021/acs.jcim.1c00328


Altmetrics

Altmetrics provided by Altmetric


Actions

Find at Newcastle University icon    Link to this publication


Share