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Macromolecular modeling and design in Rosetta: recent methods and frameworks.

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第一作者: Julia Koehler,Leman
第一单位: Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. Julia.koehler.leman@nyu.edu.;Department of Biology, New York University, New York, New York, USA. Julia.koehler.leman@nyu.edu.
作者: Julia Koehler,Leman [1] ; Brian D,Weitzner [2] ; Steven M,Lewis [3] ; Jared,Adolf-Bryfogle [4] ; Nawsad,Alam [5] ; Rebecca F,Alford [6] ; Melanie,Aprahamian [7] ; David,Baker [8] ; Kyle A,Barlow [9] ; Patrick,Barth [10] ; Benjamin,Basanta [11] ; Brian J,Bender [12] ; Kristin,Blacklock [13] ; Jaume,Bonet [14] ; Scott E,Boyken [15] ; Phil,Bradley [16] ; Chris,Bystroff [17] ; Patrick,Conway [18] ; Seth,Cooper [19] ; Bruno E,Correia [14] ; Brian,Coventry [18] ; Rhiju,Das [20] ; René M,De Jong [21] ; Frank,DiMaio [8] ; Lorna,Dsilva [19] ; Roland,Dunbrack [22] ; Alexander S,Ford [18] ; Brandon,Frenz [23] ; Darwin Y,Fu [24] ; Caleb,Geniesse [20] ; Lukasz,Goldschmidt [18] ; Ragul,Gowthaman [25] ; Jeffrey J,Gray [26] ; Dominik,Gront [27] ; Sharon,Guffy [28] ; Scott,Horowitz [29] ; Po-Ssu,Huang [18] ; Thomas,Huber [30] ; Tim M,Jacobs [31] ; Jeliazko R,Jeliazkov [32] ; David K,Johnson [33] ; Kalli,Kappel [34] ; John,Karanicolas [22] ; Hamed,Khakzad [35] ; Karen R,Khar [36] ; Sagar D,Khare [37] ; Firas,Khatib [38] ; Alisa,Khramushin [5] ; Indigo C,King [39] ; Robert,Kleffner [19] ; Brian,Koepnick [18] ; Tanja,Kortemme [40] ; Georg,Kuenze [41] ; Brian,Kuhlman [28] ; Daisuke,Kuroda [42] ; Jason W,Labonte [43] ; Jason K,Lai [44] ; Gideon,Lapidoth [45] ; Andrew,Leaver-Fay [28] ; Steffen,Lindert [7] ; Thomas,Linsky [8] ; Nir,London [5] ; Joseph H,Lubin [6] ; Sergey,Lyskov [6] ; Jack,Maguire [31] ; Lars,Malmström [46] ; Enrique,Marcos [47] ; Orly,Marcu [5] ; Nicholas A,Marze [6] ; Jens,Meiler [48] ; Rocco,Moretti [24] ; Vikram Khipple,Mulligan [49] ; Santrupti,Nerli [50] ; Christoffer,Norn [45] ; Shane,Ó'Conchúir [40] ; Noah,Ollikainen [40] ; Sergey,Ovchinnikov [51] ; Michael S,Pacella [6] ; Xingjie,Pan [40] ; Hahnbeom,Park [18] ; Ryan E,Pavlovicz [52] ; Manasi,Pethe [53] ; Brian G,Pierce [25] ; Kala Bharath,Pilla [30] ; Barak,Raveh [5] ; P Douglas,Renfrew [54] ; Shourya S Roy,Burman [6] ; Aliza,Rubenstein [55] ; Marion F,Sauer [56] ; Andreas,Scheck [14] ; William,Schief [4] ; Ora,Schueler-Furman [5] ; Yuval,Sedan [5] ; Alexander M,Sevy [56] ; Nikolaos G,Sgourakis [57] ; Lei,Shi [8] ; Justin B,Siegel [58] ; Daniel-Adriano,Silva [18] ; Shannon,Smith [24] ; Yifan,Song [52] ; Amelie,Stein [40] ; Maria,Szegedy [59] ; Frank D,Teets [28] ; Summer B,Thyme [18] ; Ray Yu-Ruei,Wang [18] ; Andrew,Watkins [20] ; Lior,Zimmerman [5] ; Richard,Bonneau [60]
作者单位: Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. Julia.koehler.leman@nyu.edu.;Department of Biology, New York University, New York, New York, USA. Julia.koehler.leman@nyu.edu. [1] Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.;Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Protein Design, University of Washington, Seattle, WA, USA.;Lyell Immunopharma Inc., Seattle, WA, USA. [2] Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.;Department of Biochemistry, Duke University, Durham, NC, USA.;Cyrus Biotechnology, Seattle, WA, USA. [3] Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, CA, USA. [4] Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel. [5] Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA. [6] Department of Chemistry and Biochemistry, Ohio State University, Columbus, OH, USA. [7] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Protein Design, University of Washington, Seattle, WA, USA. [8] Graduate Program in Bioinformatics, University of California San Francisco, San Francisco, CA, USA. [9] Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.;Baylor College of Medicine, Department of Pharmacology, Houston, TX, USA. [10] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Biological Physics Structure and Design PhD Program, University of Washington, Seattle, WA, USA. [11] Department of Pharmacology, Vanderbilt University, Nashville, TN, USA. [12] Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [13] Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.;Swiss Institute of Bioinformatics, Lausanne, Switzerland. [14] Institute for Protein Design, University of Washington, Seattle, WA, USA.;Lyell Immunopharma Inc., Seattle, WA, USA. [15] Fred Hutchinson Cancer Research Center, Seattle, WA, USA. [16] Department of Biological Sciences, Rensselaer Polytechnic Institute, Troy, NY, USA. [17] Department of Biochemistry, University of Washington, Seattle, WA, USA. [18] Khoury College of Computer Sciences, Northeastern University, Boston, MA, USA. [19] Department of Biochemistry, Stanford University School of Medicine, Stanford, CA, USA. [20] DSM Biotechnology Center, Delft, the Netherlands. [21] Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA, USA. [22] Institute for Protein Design, University of Washington, Seattle, WA, USA.;Cyrus Biotechnology, Seattle, WA, USA. [23] Department of Chemistry, Vanderbilt University, Nashville, TN, USA. [24] University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, MD, USA.;Department of Cell Biology and Molecular Genetics, University of Maryland, College Park, MD, USA. [25] Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.;Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA. [26] Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw, Poland. [27] Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. [28] Department of Chemistry & Biochemistry, University of Denver, Denver, CO, USA.;The Knoebel Institute for Healthy Aging, University of Denver, Denver, CO, USA. [29] Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory, Australia. [30] Program in Bioinformatics and Computational Biology, Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. [31] Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA. [32] Center for Computational Biology, University of Kansas, Lawrence, KS, USA. [33] Biophysics Program, Stanford University, Stanford, CA, USA. [34] Swiss Institute of Bioinformatics, Lausanne, Switzerland.;Institute for Computational Science, University of Zurich, Zurich, Switzerland.;S3IT, University of Zurich, Zurich, Switzerland. [35] Cyrus Biotechnology, Seattle, WA, USA.;Center for Computational Biology, University of Kansas, Lawrence, KS, USA. [36] Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.;Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.;Department of Chemistry and Chemical Biology, The State University of New Jersey, Piscataway, NJ, USA.;Center for Integrative Proteomics Research, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.;Computational Biology and Molecular Biophysics Program, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [37] Department of Computer and Information Science, University of Massachusetts Dartmouth, Dartmouth, MA, USA. [38] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Cyrus Biotechnology, Seattle, WA, USA. [39] Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA. [40] Department of Chemistry, Vanderbilt University, Nashville, TN, USA.;Center for Structural Biology, Vanderbilt University, Nashville, TN, USA. [41] Medical Device Development and Regulation Research Center, School of Engineering, University of Tokyo, Tokyo, Japan.;Department of Bioengineering, School of Engineering, University of Tokyo, Tokyo, Japan. [42] Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.;Department of Chemistry, Franklin & Marshall College, Lancaster, PA, USA. [43] Baylor College of Medicine, Department of Pharmacology, Houston, TX, USA. [44] Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot, Israel. [45] Swiss Institute of Bioinformatics, Lausanne, Switzerland.;Institute for Computational Science, University of Zurich, Zurich, Switzerland.;S3IT, University of Zurich, Zurich, Switzerland.;Division of Infection Medicine, Department of Clinical Sciences Lund, Faculty of Medicine, Lund University, Lund, Sweden. [46] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Research in Biomedicine Barcelona, The Barcelona Institute of Science and Technology, Barcelona, Spain. [47] Center for Structural Biology, Vanderbilt University, Nashville, TN, USA.;Departments of Chemistry, Pharmacology and Biomedical Informatics, Vanderbilt University, Nashville, TN, USA.;Institute for Chemical Biology, Vanderbilt University, Nashville, TN, USA. [48] Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA.;Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Protein Design, University of Washington, Seattle, WA, USA. [49] Department of Computer Science, University of California Santa Cruz, Santa Cruz, CA, USA. [50] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Protein Design, University of Washington, Seattle, WA, USA.;Molecular and Cellular Biology Program, University of Washington, Seattle, WA, USA. [51] Department of Biochemistry, University of Washington, Seattle, WA, USA.;Institute for Protein Design, University of Washington, Seattle, WA, USA.;Cyrus Biotechnology, Seattle, WA, USA. [52] Department of Chemistry and Chemical Biology, The State University of New Jersey, Piscataway, NJ, USA.;Center for Integrative Proteomics Research, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [53] Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. [54] Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.;Computational Biology and Molecular Biophysics Program, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [55] Chemical and Physical Biology Program, Vanderbilt Vaccine Center, Vanderbilt University, Nashville, TN, USA. [56] Department of Chemistry and Biochemistry, University of California Santa Cruz, Santa Cruz, CA, USA. [57] Department of Chemistry, University of California, Davis, Davis, CA, USA.;Department of Biochemistry and Molecular Medicine, University of California, Davis, Davis, California, USA.;Genome Center, University of California, Davis, Davis, CA, USA. [58] Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA. [59] Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. Bonneau@nyu.edu.;Department of Biology, New York University, New York, New York, USA. Bonneau@nyu.edu.;Department of Computer Science, New York University, New York, NY, USA. Bonneau@nyu.edu.;Center for Data Science, New York University, New York, NY, USA. Bonneau@nyu.edu. [60]
DOI 10.1038/s41592-020-0848-2
PMID 32483333
发布时间 2025-05-30
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