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research article

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Leman, Julia Koehler
•
Weitzner, Brian D.
•
Lewis, Steven M.
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June 1, 2020
Nature Methods

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 .

This Perspective reviews tools developed over the past five years in the macromolecular modeling, docking and design software Rosetta.

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Type
research article
DOI
10.1038/s41592-020-0848-2
Web of Science ID

WOS:000537047600003

Author(s)
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  
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Date Issued

2020-06-01

Publisher

NATURE PUBLISHING GROUP

Published in
Nature Methods
Volume

17

Start page

665

End page

680

Subjects

Biochemical Research Methods

•

Biochemistry & Molecular Biology

•

protein-structure prediction

•

de-novo design

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homing endonuclease specificity

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small-molecule docking

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sparse nmr data

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computational design

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atomic-accuracy

•

antibody structures

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fold determination

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variable region

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LPDI  
UPBARTH  
Available on Infoscience
June 14, 2020
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/169284
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