Prediction of structures of multidomain proteins from structures of the individual domains

TitlePrediction of structures of multidomain proteins from structures of the individual domains
Publication TypeJournal Article
Year of Publication2007
AuthorsWollacott, A. M., Zanghellini A., Murphy P., & Baker D.
JournalProtein science
Volume16
Issue2
Pagination165-75
Date Published2007 Feb
ISSN0961-8368
KeywordsComputational Biology, Computer Simulation, Models, Molecular, Primary Publication, Protein Structure, Secondary, Protein Structure, Tertiary, Proteins
Abstract

We describe the development of a method for assembling structures of multidomain proteins from structures of isolated domains. The method consists of an initial low-resolution search in which the conformational space of the domain linker is explored using the Rosetta de novo structure prediction method, followed by a high-resolution search in which all atoms are treated explicitly and backbone and side chain degrees of freedom are simultaneously optimized. The method recapitulates, often with very high accuracy, the structures of existing multidomain proteins.

Alternate JournalProtein Sci.
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