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Macromolecular modeling and design in Rosetta: recent methods and frameworks
Journal article   Open access   Peer reviewed

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Julia Koehler Leman, Brian D Weitzner, Steven M Lewis, Jared Adolf-Bryfogle, Nawsad Alam, Rebecca F Alford, Melanie Aprahamian, David Baker, Kyle A Barlow, Patrick Barth, …
Nature methods, Vol.17(7), pp.665-680
07/01/2020
PMID: 32483333

Abstract

Macromolecular Substances - chemistry Models, Molecular Molecular Docking Simulation Peptidomimetics - chemistry Protein Conformation Proteins - chemistry Software
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.

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