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Macromolecular modeling and design in Rosetta: recent methods and frameworks

Authors :
Leman, Julia Koehler
Weitzner, Brian D.
Lewis, Steven M.
Adolf-Bryfogle, Jared
Alam, Nawsad
Alford, Rebecca F.
Aprahamian, Melanie
Baker, David
Barlow, Kyle A.
Barth, Patrick
Basanta, Benjamin
Bender, Brian J.
Blacklock, Kristin
Bonet, Jaume
Boyken, Scott E.
Bradley, Phil
Bystroff, Chris
Conway, Patrick
Cooper, Seth
Correia, Bruno E.
Coventry, Brian
Das, Rhiju
De Jong, René M.
DiMaio, Frank
Dsilva, Lorna
Dunbrack, Roland
Ford, Alexander S.
Frenz, Brandon
Fu, Darwin Y.
Geniesse, Caleb
Goldschmidt, Lukasz
Gowthaman, Ragul
Gray, Jeffrey J.
Gront, Dominik
Guffy, Sharon
Horowitz, Scott
Huang, Po-Ssu
Huber, Thomas
Jacobs, Tim M.
Jeliazkov, Jeliazko R.
Johnson, David K.
Kappel, Kalli
Karanicolas, John
Khakzad, Hamed
Khar, Karen R.
Khare, Sagar D.
Khatib, Firas
Khramushin, Alisa
King, Indigo C.
Kleffner, Robert
Koepnick, Brian
Kortemme, Tanja
Kuenze, Georg
Kuhlman, Brian
Kuroda, Daisuke
Labonte, Jason W.
Lai, Jason K.
Lapidoth, Gideon
Leaver-Fay, Andrew
Lindert, Steffen
Linsky, Thomas
London, Nir
Lubin, Joseph H.
Lyskov, Sergey
Maguire, Jack
Malmström, Lars
Marcos, Enrique
Marcu, Orly
Marze, Nicholas A.
Meiler, Jens
Moretti, Rocco
Mulligan, Vikram Khipple
Nerli, Santrupti
Norn, Christoffer
Ó’Conchúir, Shane
Ollikainen, Noah
Ovchinnikov, Sergey
Pacella, Michael S.
Pan, Xingjie
Park, Hahnbeom
Pavlovicz, Ryan E.
Pethe, Manasi
Pierce, Brian G.
Pilla, Kala Bharath
Raveh, Barak
Renfrew, P. Douglas
Burman, Shourya S. Roy
Rubenstein, Aliza
Sauer, Marion F.
Scheck, Andreas
Schief, William
Schueler-Furman, Ora
Sedan, Yuval
Sevy, Alexander M.
Sgourakis, Nikolaos G.
Shi, Lei
Siegel, Justin B.
Silva, Daniel-Adriano
Smith, Shannon
Song, Yifan
Stein, Amelie
Szegedy, Maria
Teets, Frank D.
Thyme, Summer B.
Wang, Ray Yu-Ruei
Watkins, Andrew
Zimmerman, Lior
Bonneau, Richard
Source :
Nature Methods; July 2020, Vol. 17 Issue: 7 p665-680, 16p
Publication Year :
2020

Abstract

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.

Details

Language :
English
ISSN :
15487091 and 15487105
Volume :
17
Issue :
7
Database :
Supplemental Index
Journal :
Nature Methods
Publication Type :
Periodical
Accession number :
ejs53375093
Full Text :
https://doi.org/10.1038/s41592-020-0848-2