Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge

Affiliations

• ¹ RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [email protected].
• ² Genome Center, University of California, Davis, CA, USA.
• ³ Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA.
• ⁴ RCSB Protein Data Bank and Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
• ⁵ Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
• ⁶ Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, New Brunswick, NJ, USA.
• ⁷ RCSB Protein Data Bank and San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA.
• ⁸ Institute of Biotechnology, Czech Academy of Sciences, Vestec, Czech Republic.
• ⁹ Department of Biochemistry, Duke University, Durham, NC, USA.
• ¹⁰ MRC Laboratory of Molecular Biology, Cambridge, UK.
• ¹¹ Discovery Chemistry, Genentech Inc., San Francisco, CA, USA.
• ¹² , Berlin, Germany.
• ¹³ Structural Biology Center, X-ray Science Division, Argonne National Laboratory, Argonne, IL, USA.
• ¹⁴ Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, IL, USA.
• ¹⁵ Structural Biology, Genentech Inc., South San Francisco, CA, USA.
• ¹⁶ Protein Science, Septerna, South San Francisco, CA, USA.
• ¹⁷ Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK.
• ¹⁸ Computational Chemistry, Vilya, South San Francisco, CA, USA.
• ¹⁹ Chemical Computing Group, Montreal, Quebec, Canada.
• ²⁰ Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
• ²¹ Department of Biochemistry and Molecular Biology, The University of Texas Health Science Center at Houston, Houston, TX, USA.
• ²² York Structural Biology Laboratory, Department of Chemistry, University of York, York, UK.
• ²³ Department of Biochemistry, University of Cambridge, Cambridge, UK.
• ²⁴ Scientific Computing Department, UKRI Science and Technology Facilities Council, Research Complex at Harwell, Didcot, UK.
• ²⁵ Center for Development of Therapeutics, Broad Institute of MIT and Harvard, Cambridge, MA, USA.
• ²⁶ Department of Computer Science, Pacific Lutheran University, Tacoma, WA, USA.
• ²⁷ Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO, USA.
• ²⁸ European Molecular Biology Laboratory, Hamburg Unit, Hamburg, Germany.
• ²⁹ Department of Biochemistry and Institute for Protein Design, University of Washington, Seattle, WA, USA.
• ³⁰ Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA.
• ³¹ Theoretical and Computational Biophysics Department, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany.
• ³² Department of Computer Science, Saint Louis University, St. Louis, MO, USA.
• ³³ Institute of Biochemistry and Molecular Biology, ZBMZ, Faculty of Medicine and CIBSS-Centre for Integrative Biological Signalling Studies, University of Freiburg, Freiburg, Germany.
• ³⁴ Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.
• ³⁵ Department of Computer Science, Purdue University, West Lafayette, IN, USA.
• ³⁶ Verna and Marrs McLean Department of Biochemistry and Molecular Biology, Baylor College of Medicine, Houston, TX, USA.
• ³⁷ Trivedi School of Biosciences, Ashoka University, Sonipat, India.
• ³⁸ The Chinese University of Hong Kong, Hong Kong, China.
• ³⁹ Division of Computing & Software Systems, University of Washington, Bothell, WA, USA.
• ⁴⁰ Biodesign Institute, Arizona State University, Tempe, AZ, USA.
• ⁴¹ School of Advanced Sciences and Languages, VIT Bhopal University, Bhopal, India.
• ⁴² National Renewable Energy Laboratory (NREL), Golden, CO, USA.
• ⁴³ Electron Bio-Imaging Centre, Diamond Light Source, Harwell Science and Innovation Campus, Didcot, UK.
• ⁴⁴ Institute of Biological Information Processing (IBI-7, Structural Biochemistry) and Jülich Centre for Structural Biology (JuStruct), Forschungszentrum Jülich, Jülich, Germany.
• ⁴⁵ Department of Chemistry, Carleton University, Ottawa, Ontario, Canada.
• ⁴⁶ MSU-DOE Plant Research Laboratory, East Lansing, MI, USA.
• ⁴⁷ School of Molecular Sciences, Arizona State University, Tempe, AZ, USA.
• ⁴⁸ Physics Department, Heinrich Heine University Düsseldorf, Düsseldorf, Germany.
• ⁴⁹ Nature's Toolbox (NTx), Rio Rancho, NM, USA.
• ⁵⁰ Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA.
• ⁵¹ Department of Quantitative and Computational Biology, University of Southern California, Los Angeles, CA, USA.
• ⁵² Departments of Bioengineering and of Microbiology and Immunology, Stanford University, Stanford, CA, USA. [email protected].
• ⁵³ Division of Cryo-EM and Bioimaging, SSRL, SLAC National Accelerator Laboratory, Menlo Park, CA, USA. [email protected].