Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens
Year: 2025
Type: article
Language: en
Topic: Computational Drug Discovery Methods
Authors and affiliations:
raw_author_name: Jongbin Kim
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Galen J. Correy
raw_affiliation_strings: Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Brendan W. Hall
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Moira M. Rachman
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Olivier Mailhot
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Takaya Togo
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Ryan L. Gonciarz
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Priyadarshini Jaishankar
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: R. Jeffrey Neitz
raw_affiliation_strings: 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
raw_author_name: Eric R. Hantz
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Yagmur U. Doruk
raw_affiliation_strings: Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Maisie G. V. Stevens
raw_affiliation_strings: Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Morgan E. Diolaiti
raw_affiliation_strings: Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Rashad Reid
raw_affiliation_strings: Department of Biological and Medical Informatics, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Saumya Gopalkrishnan
raw_affiliation_strings: Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Nevan J. Krogan
raw_affiliation_strings: Data Science and Biotechnology Institute, Gladstone Institutes, San Francisco, CA, USA
Department of Bioengineering and Therapeutic Sciences, 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
Quantitative Biosciences Institute (QBI), University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Adam R. Renslo
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Alan Ashworth
raw_affiliation_strings: Helen Diller Family Comprehensive Cancer Center, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: Brian K. Shoichet
raw_affiliation_strings: Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, CA 94158, USA
raw_author_name: James S. Fraser
raw_affiliation_strings: Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA 94158, USA