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

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

  • Leman JK Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. Julia.koehler.leman@nyu.edu.
  • Weitzner BD Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Lewis SM Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Adolf-Bryfogle J Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, CA, USA.
  • Alam N Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Alford RF Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Aprahamian M Department of Chemistry and Biochemistry, Ohio State University, Columbus, OH, USA.
  • Baker D Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Barlow KA Graduate Program in Bioinformatics, University of California San Francisco, San Francisco, CA, USA.
  • Barth P Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Basanta B Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Bender BJ Department of Pharmacology, Vanderbilt University, Nashville, TN, USA.
  • Blacklock K Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
  • Bonet J Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Boyken SE Institute for Protein Design, University of Washington, Seattle, WA, USA.
  • Bradley P Fred Hutchinson Cancer Research Center, Seattle, WA, USA.
  • Bystroff C Department of Biological Sciences, Rensselaer Polytechnic Institute, Troy, NY, USA.
  • Conway P Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Cooper S Khoury College of Computer Sciences, Northeastern University, Boston, MA, USA.
  • Correia BE Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Coventry B Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Das R Department of Biochemistry, Stanford University School of Medicine, Stanford, CA, USA.
  • De Jong RM DSM Biotechnology Center, Delft, the Netherlands.
  • DiMaio F Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Dsilva L Khoury College of Computer Sciences, Northeastern University, Boston, MA, USA.
  • Dunbrack R Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA, USA.
  • Ford AS Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Frenz B Institute for Protein Design, University of Washington, Seattle, WA, USA.
  • Fu DY Department of Chemistry, Vanderbilt University, Nashville, TN, USA.
  • Geniesse C Department of Biochemistry, Stanford University School of Medicine, Stanford, CA, USA.
  • Goldschmidt L Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Gowthaman R University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, MD, USA.
  • Gray JJ Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Gront D Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw, Poland.
  • Guffy S Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Horowitz S Department of Chemistry & Biochemistry, University of Denver, Denver, CO, USA.
  • Huang PS Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Huber T Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory, Australia.
  • Jacobs TM Program in Bioinformatics and Computational Biology, Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Jeliazkov JR Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA.
  • Johnson DK Center for Computational Biology, University of Kansas, Lawrence, KS, USA.
  • Kappel K Biophysics Program, Stanford University, Stanford, CA, USA.
  • Karanicolas J Institute for Cancer Research, Fox Chase Cancer Center, Philadelphia, PA, USA.
  • Khakzad H Swiss Institute of Bioinformatics, Lausanne, Switzerland.
  • Khar KR Cyrus Biotechnology, Seattle, WA, USA.
  • Khare SD Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
  • Khatib F Department of Computer and Information Science, University of Massachusetts Dartmouth, Dartmouth, MA, USA.
  • Khramushin A Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • King IC Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Kleffner R Khoury College of Computer Sciences, Northeastern University, Boston, MA, USA.
  • Koepnick B Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Kortemme T Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA.
  • Kuenze G Department of Chemistry, Vanderbilt University, Nashville, TN, USA.
  • Kuhlman B Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Kuroda D Medical Device Development and Regulation Research Center, School of Engineering, University of Tokyo, Tokyo, Japan.
  • Labonte JW Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Lai JK Baylor College of Medicine, Department of Pharmacology, Houston, TX, USA.
  • Lapidoth G Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot, Israel.
  • Leaver-Fay A Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Lindert S Department of Chemistry and Biochemistry, Ohio State University, Columbus, OH, USA.
  • Linsky T Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • London N Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Lubin JH Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Lyskov S Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Maguire J Program in Bioinformatics and Computational Biology, Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Malmström L Swiss Institute of Bioinformatics, Lausanne, Switzerland.
  • Marcos E Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Marcu O Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Marze NA Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Meiler J Center for Structural Biology, Vanderbilt University, Nashville, TN, USA.
  • Moretti R Department of Chemistry, Vanderbilt University, Nashville, TN, USA.
  • Mulligan VK Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA.
  • Nerli S Department of Computer Science, University of California Santa Cruz, Santa Cruz, CA, USA.
  • Norn C Department of Biomolecular Sciences, Weizmann Institute of Science, Rehovot, Israel.
  • Ó'Conchúir S Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA.
  • Ollikainen N Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA.
  • Ovchinnikov S Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Pacella MS Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Pan X Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA.
  • Park H Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Pavlovicz RE Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Pethe M Department of Chemistry and Chemical Biology, The State University of New Jersey, Piscataway, NJ, USA.
  • Pierce BG University of Maryland Institute for Bioscience and Biotechnology Research, Rockville, MD, USA.
  • Pilla KB Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory, Australia.
  • Raveh B Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Renfrew PD Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA.
  • Burman SSR Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD, USA.
  • Rubenstein A Institute of Quantitative Biomedicine, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
  • Sauer MF Chemical and Physical Biology Program, Vanderbilt Vaccine Center, Vanderbilt University, Nashville, TN, USA.
  • Scheck A Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland.
  • Schief W Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, CA, USA.
  • Schueler-Furman O Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Sedan Y Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Sevy AM Chemical and Physical Biology Program, Vanderbilt Vaccine Center, Vanderbilt University, Nashville, TN, USA.
  • Sgourakis NG Department of Chemistry and Biochemistry, University of California Santa Cruz, Santa Cruz, CA, USA.
  • Shi L Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Siegel JB Department of Chemistry, University of California, Davis, Davis, CA, USA.
  • Silva DA Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Smith S Department of Chemistry, Vanderbilt University, Nashville, TN, USA.
  • Song Y Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Stein A Department of Bioengineering and Therapeutic Sciences, University of California San Francisco, San Francisco, CA, USA.
  • Szegedy M Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Piscataway, NJ, USA.
  • Teets FD Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.
  • Thyme SB Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Wang RY Department of Biochemistry, University of Washington, Seattle, WA, USA.
  • Watkins A Department of Biochemistry, Stanford University School of Medicine, Stanford, CA, USA.
  • Zimmerman L Department of Microbiology and Molecular Genetics, IMRIC, Ein Kerem Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.
  • Bonneau R Center for Computational Biology, Flatiron Institute, Simons Foundation, New York, NY, USA. Bonneau@nyu.edu.
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  • 2020-06-03
Published in:
  • Nature methods. - 2020
English The Rosetta software for macromolecular modeling, docking and design is extensively used in laboratories worldwide. During two decades of development by a community of laboratories at more than 60 institutions, Rosetta has been continuously refactored and extended. Its advantages are its performance and interoperability between broad modeling capabilities. Here we review tools developed in the last 5 years, including over 80 methods. We discuss improvements to the score function, user interfaces and usability. Rosetta is available at http://www.rosettacommons.org.
Language
  • English
Open access status
closed
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Persistent URL
https://sonar.ch/global/documents/22431
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