Temperature artifacts in protein structures bias ligand-binding predictions-Reference-Cited by-同舟云学术

Temperature artifacts in protein structures bias ligand-binding predictions

Published:2021 Issue:34 Volume:12 Page:11275-11293
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Bradford Shanshan Y. C.¹^ORCID,El Khoury Léa²^ORCID,Ge Yunhui²^ORCID,Osato Meghan²^ORCID,Mobley David L.²³^ORCID,Fischer Marcus¹⁴^ORCID

Affiliation:

1. Department of Chemical Biology & Therapeutics, St. Jude Children's Research Hospital, Memphis, TN 38105, USA

2. Department of Pharmaceutical Sciences, University of California, Irvine, CA 92697, USA

3. Department of Chemistry, University of California, Irvine, CA 92697, USA

4. Department of Structural Biology, St. Jude Children's Research Hospital, Memphis, TN 38105, USA

Abstract

Temperature artifacts in protein structures impact the utility of structural information in computation by misleading validation and application of computational methods in discovering bioactive molecules.

Funder

NIH Office of the Director

American Lebanese Syrian Associated Charities

Office of the President, University of California

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D1SC02751D

Reference97 articles.

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