Author

Weiru Wang

GenentechORCID 0000-0001-8845-301XUnclaimed ORCID profile · follow to get notified of new preprints

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Weiru Wang1 paper

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:protein structure· 1 Research Focus:protein structure prediction· 1 Approach:statistical model· 1

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Alexander W. PatapoffiD· 1 shared Benjamin T. WaltersiD· 1 shared James R. KieferiD· 1 shared Ping WuiD· 1 shared

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Alexander W. PatapoffORCID

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BiophysicsJournal of Chemical Information and ModelingPeer-reviewedJun 11, 2025

Integrating Hydrogen Exchange with Molecular Dynamics for Improved Ligand Binding Predictions

Benjamin T. Walters, Alexander W. Patapoff, James R. Kiefer…·Weiru Wang

This paper introduces HX-ESP, a method combining hydrogen exchange data with molecular dynamics to predict ligand binding modes, outperforming flexible docking for conformationally flexible targets.

4 citations

protein structuredeep learning

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