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Prediction of structures of multidomain proteins from structures of the individual domains
Author(s) -
Wollacott Andrew M.,
Zanghellini Alexandre,
Murphy Paul,
Baker David
Publication year - 2007
Publication title -
protein science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.353
H-Index - 175
eISSN - 1469-896X
pISSN - 0961-8368
DOI - 10.1110/ps.062270707
Subject(s) - linker , domain (mathematical analysis) , resolution (logic) , degrees of freedom (physics and chemistry) , protein structure , side chain , high resolution , low resolution , computer science , crystallography , biological system , algorithm , computational biology , chemistry , physics , biology , artificial intelligence , mathematics , biochemistry , nuclear magnetic resonance , mathematical analysis , polymer , remote sensing , quantum mechanics , geology , operating system
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.