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Expanding automated multiconformer ligand modeling to macrocycles and fragments.

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Title: Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Authors: Flowers J; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States., Echols N; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States., Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States., Jaishankar P; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States., Togo T; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States., Renslo AR; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States., van den Bedem H; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.; Atomwise Inc, San Francisco, United States., Fraser JS; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States., Wankowicz SA; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.
Source: ELife [Elife] 2025 Jun 30; Vol. 14. Date of Electronic Publication: 2025 Jun 30.
Publication Type: Journal Article
Journal Info: Publisher: eLife Sciences Publications, Ltd Country of Publication: England NLM ID: 101579614 Publication Model: Electronic Cited Medium: Internet ISSN: 2050-084X (Electronic) Linking ISSN: 2050084X NLM ISO Abbreviation: Elife Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Flowers+J%22">Flowers J</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Echols+N%22">Echols N</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Correy+GJ%22">Correy GJ</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Jaishankar+P%22">Jaishankar P</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Togo+T%22">Togo T</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Renslo+AR%22">Renslo AR</searchLink>; Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22van+den+Bedem+H%22">van den Bedem H</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.; Atomwise Inc, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Fraser+JS%22">Fraser JS</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.<br /><searchLink fieldCode="AU" term="%22Wankowicz+SA%22">Wankowicz SA</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, United States.
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              Text: 2025 Jun 30
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