Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor

Lookup NU author(s): Dr Daniel Cole ORCiD

This is the authors' accepted manuscript of an article that has been published in its final definitive form by American Chemical Society, 2019.

For re-use rights please refer to the publisher's terms and conditions.

Author(s): Qian Y, Cabeza de Vaca I, Vilseck JZ, Cole DJ, Tirado-Rives J, Jorgensen WL

Publication type: Article

Publication status: Published

Journal: Journal of Physical Chemistry B

Year: 2019

Volume: 123

Issue: 41

Pages: 8675-8685

Online publication date: 25/09/2019

Acceptance date: 25/09/2019

Date deposited: 21/11/2019

ISSN (print): 1520-6106

ISSN (electronic): 1520-5207

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.jpcb.9b07588

DOI: 10.1021/acs.jpcb.9b07588

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GM32136

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