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
Description
ISSN:2692-8205
DOI:10.64898/2025.12.25.696505