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. |
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| 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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| ISSN: | 1469-896X |
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| DOI: | 10.1002/pro.70082 |
