Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography

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Jack B. Greisman, Lindsay Willmore, Christine Y. Yeh, Fabrizio Giordanetto, Sahar Shahamadtar, Hunter M. Nisonoff, Paul Maragakis, David E. Shaw

Published: 01 Jan 2023, Last Modified: 23 Jan 2025J. Chem. Inf. Model. 2023EveryoneRevisionsBibTeXCC BY-SA 4.0