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Macromolecular modeling and design in Rosetta: recent methods and frameworks

Autor
Gront, Dominik
Teets, Frank D.
Wang, Ray Yu-Ruei
Thyme, Summer B.
Zimmerman, Lior
Watkins, Andrew
Bonneau, Richard
Basanta, Benjamin
Barth, Patrick
Barlow, Kyle A.
Data publikacji
2020
Abstrakt (EN)

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.

Dyscyplina PBN
nauki chemiczne
Czasopismo
Nature Methods
Tom
17
Zeszyt
7
Strony od-do
665-680
ISSN
1548-7091
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