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

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TitleMacromolecular modeling and design in Rosetta: recent methods and frameworks.
Publication TypeJournal Article
Year of Publication2020
AuthorsLeman, JKoehler, Weitzner, BD, Lewis, SM, Adolf-Bryfogle, J, Alam, N, Alford, RF, Aprahamian, M, Baker, D, Barlow, KA, Barth, P, Basanta, B, Bender, BJ, Blacklock, K, Bonet, J, Boyken, SE, Bradley, P, Bystroff, C, Conway, P, Cooper, S, Correia, BE, Coventry, B, Das, R, De Jong, RM, DiMaio, F, Dsilva, L, Dunbrack, R, Ford, AS, Frenz, B, Fu, DY, Geniesse, C, Goldschmidt, L, Gowthaman, R, Gray, JJ, Gront, D, Guffy, S, Horowitz, S, Huang, P-S, Huber, T, Jacobs, TM, Jeliazkov, JR, Johnson, DK, Kappel, K, Karanicolas, J, Khakzad, H, Khar, KR, Khare, SD, Khatib, F, Khramushin, A, King, IC, Kleffner, R, Koepnick, B, Kortemme, T, Kuenze, G, Kuhlman, B, Kuroda, D, Labonte, JW, Lai, JK, Lapidoth, G, Leaver-Fay, A, Lindert, S, Linsky, T, London, N, Lubin, JH, Lyskov, S, Maguire, J, Malmström, L, Marcos, E, Marcu, O, Marze, NA, Meiler, J, Moretti, R, Mulligan, VKhipple, Nerli, S, Norn, C, Ó'Conchúir, S, Ollikainen, N, Ovchinnikov, S, Pacella, MS, Pan, X, Park, H, Pavlovicz, RE, Pethe, M, Pierce, BG, Pilla, KBharath, Raveh, B, P Renfrew, D, Burman, SSRoy, Rubenstein, A, Sauer, MF, Scheck, A, Schief, W, Schueler-Furman, O, Sedan, Y, Sevy, AM, Sgourakis, NG, Shi, L, Siegel, JB, Silva, D-A, Smith, S, Song, Y, Stein, A, Szegedy, M, Teets, FD, Thyme, SB, Wang, RYu-Ruei, Watkins, A, Zimmerman, L, Bonneau, R
JournalNat Methods
Date Published2020 Jun 01
ISSN1548-7105
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.

DOI10.1038/s41592-020-0848-2
Alternate JournalNat. Methods
PubMed ID32483333
Grant ListR01 GM099827 / GM / NIGMS NIH HHS / United States
R01 GM126299 / GM / NIGMS NIH HHS / United States