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Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance.

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Title: Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance.
Authors: Hansel-Harris AT; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA., Tillack AF; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA., Santos-Martins D; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA., Holcomb M; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA., Forli S; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.
Source: Protein science : a publication of the Protein Society [Protein Sci] 2025 Mar; Vol. 34 (3), pp. e70082.
Publication Type: Journal Article
Journal Info: Publisher: Cold Spring Harbor Laboratory Press Country of Publication: United States NLM ID: 9211750 Publication Model: Print Cited Medium: Internet ISSN: 1469-896X (Electronic) Linking ISSN: 09618368 NLM ISO Abbreviation: Protein Sci Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Hansel-Harris+AT%22">Hansel-Harris AT</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.<br /><searchLink fieldCode="AU" term="%22Tillack+AF%22">Tillack AF</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.<br /><searchLink fieldCode="AU" term="%22Santos-Martins+D%22">Santos-Martins D</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.<br /><searchLink fieldCode="AU" term="%22Holcomb+M%22">Holcomb M</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.<br /><searchLink fieldCode="AU" term="%22Forli+S%22">Forli S</searchLink>; Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, California, USA.
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  Data: <searchLink fieldCode="JN" term="%229211750%22">Protein science : a publication of the Protein Society</searchLink> [Protein Sci] 2025 Mar; Vol. 34 (3), pp. e70082.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Cold+Spring+Harbor+Laboratory+Press%22">Cold Spring Harbor Laboratory Press </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>9211750 <i>Publication Model: </i>Print <i>Cited Medium: </i>Internet <i>ISSN: </i>1469-896X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2209618368%22">09618368 </searchLink><i>NLM ISO Abbreviation: </i>Protein Sci <i>Subsets: </i>MEDLINE
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        Value: 10.1002/pro.70082
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        Text: English
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              Text: 2025 Mar
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