Computational models in
the service of X-ray and cryo-EM structure determination
Running title: Models in service
Andriy Kryshtafovych , 1 - Genome Center,
University of California, Davis, California 95616, USA
John Moult, 2 - Institute for Bioscience and
Biotechnology Research, Department of Cell Biology and Molecular
genetics, University of Maryland, 9600 Gudelsky Drive, Rockville, MD
20850, USA
Reinhard Albrecht, 3 - Department of Protein
Evolution, Max Planck Institute for Developmental Biology, 72076
Tübingen, Germany
Geoffrey A. Chang , 4 - Department of
Pharmacology, University of California-San Diego, La Jolla, CA, 92093,
USA
Kinlin Chao 5, Institute for Bioscience and
Biotechnology Research, University of Maryland, Rockville, MD 20850, USA
Alec Fraser , 6 - Department of Biochemistry
and Molecular Biology, Sealy Center for Structural Biology and Molecular
Biophysics (SCSB), The University of Texas Medical Branch at Galveston,
TX 77555, USA
Julia Greenfield 5, Institute for Bioscience
and Biotechnology Research, University of Maryland, Rockville, MD 20850,
USA
Marcus D. Hartmann , 3 - Department of Protein
Evolution, Max Planck Institute for Developmental Biology, 72076
Tübingen, Germany
Osnat Herzberg , 5, 7 – 5Institute for Bioscience and Biotechnology Research, University of
Maryland, Rockville, MD 20850, USA; 7 Department of
Chemistry and Biochemistry, University of Maryland, College Park, MD
20742, USA
Inokentijs Josts, 8 - The Hamburg Advanced
Research Center for Bioorganic Chemistry (HARBOR) & Department of
Chemistry, Institute for Biochemistry and Molecular Biology, University
of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany
Petr G. Leiman , 6 - Department of
Biochemistry and Molecular Biology, Sealy Center for Structural Biology
and Molecular Biophysics (SCSB), The University of Texas Medical Branch
at Galveston, TX 77555, USA
Sara B. Linden 5 - Institute for Bioscience
and Biotechnology Research, University of Maryland, Rockville, MD 20850,
USA
Andrei N. Lupas , 3 - Department of Protein
Evolution, Max Planck Institute for Developmental Biology, 72076
Tübingen, Germany
Daniel C. Nelson 5, 9 -5 Institute for Bioscience and Biotechnology Research,
University of Maryland, Rockville, MD 20850, USA; 9Department of Veterinary Medicine, University of Maryland, College Park,
MD 20742, USA
Steven D. Rees , 4 - Department of
Pharmacology, University of California-San Diego, La Jolla, CA, 92093,
USA
Xiaoran Shang 5 - Institute for Bioscience
and Biotechnology Research, University of Maryland, Rockville, MD 20850,
USA
Maria L. Sokolova, 10 - Center of Life
Sciences, Skolkovo Institute of Science and Technology, Moscow, 121205,
Russia
Henning Tidow, 8 - The Hamburg Advanced
Research Center for Bioorganic Chemistry (HARBOR) & Department of
Chemistry, Institute for Biochemistry and Molecular Biology, University
of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany
and
AlphaFold2 team , 11 -
DeepMind, London, EC4A 3TW, UK
Keywords: X-ray crystallography; cryo-EM; CASP, Protein
Structure Prediction.
Abbreviations: CASP: community wide experiment on the Critical
Assessment of Techniques for Protein Structure Prediction; MR:molecular replacement; cryo-EM: cryo-electron microscopy;NMR: nuclear magnetic resonance