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Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens.

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Title: Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens.
Authors: Kim J; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Correy GJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA., Hall BW; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Rachman MM; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Mailhot O; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Togo T; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Gonciarz RL; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Jaishankar P; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Neitz RJ; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.; Small Molecule Discovery Center, University of California San Francisco, San Francisco, CA 94158, USA., Hantz ER; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Doruk YU; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA., Stevens MGV; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA., Diolaiti ME; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA., Reid R; Department of Biological and Medical Informatics, University of California San Francisco, San Francisco, CA 94158, USA., Gopalkrishnan S; Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA., Krogan NJ; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.; Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA.; Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, CA 94158, USA.; Data Science and Biotechnology Institute, Gladstone Institutes, San Francisco, CA, USA., Renslo AR; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Ashworth A; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA., Shoichet BK; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA., Fraser JS; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.
Source: BioRxiv : the preprint server for biology [bioRxiv] 2025 Dec 29. Date of Electronic Publication: 2025 Dec 29.
Publication Type: Journal Article; Preprint
Journal Info: Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet ISSN: 2692-8205 (Electronic) Linking ISSN: 26928205 NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens.
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  Data: <searchLink fieldCode="AU" term="%22Kim+J%22">Kim J</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Correy+GJ%22">Correy GJ</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Hall+BW%22">Hall BW</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Rachman+MM%22">Rachman MM</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Mailhot+O%22">Mailhot O</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Togo+T%22">Togo T</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Gonciarz+RL%22">Gonciarz RL</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Jaishankar+P%22">Jaishankar P</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Neitz+RJ%22">Neitz RJ</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.; Small Molecule Discovery Center, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Hantz+ER%22">Hantz ER</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Doruk+YU%22">Doruk YU</searchLink>; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Stevens+MGV%22">Stevens MGV</searchLink>; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Diolaiti+ME%22">Diolaiti ME</searchLink>; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Reid+R%22">Reid R</searchLink>; Department of Biological and Medical Informatics, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Gopalkrishnan+S%22">Gopalkrishnan S</searchLink>; Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Krogan+NJ%22">Krogan NJ</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.; Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA.; Department of Cellular and Molecular Pharmacology, University of California San Francisco, San Francisco, CA 94158, USA.; Data Science and Biotechnology Institute, Gladstone Institutes, San Francisco, CA, USA.<br /><searchLink fieldCode="AU" term="%22Renslo+AR%22">Renslo AR</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Ashworth+A%22">Ashworth A</searchLink>; Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Shoichet+BK%22">Shoichet BK</searchLink>; Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA.<br /><searchLink fieldCode="AU" term="%22Fraser+JS%22">Fraser JS</searchLink>; Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA.
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  Data: <searchLink fieldCode="JN" term="%22101680187%22">BioRxiv : the preprint server for biology</searchLink> [bioRxiv] 2025 Dec 29. <i>Date of Electronic Publication: </i>2025 Dec 29.
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