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Royal Society of Chemistry, Chemical Science, 34(12), p. 11275-11293, 2021

DOI: 10.1039/d1sc02751d

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Temperature artifacts in protein structures bias ligand-binding predictions

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.