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

by: Andrew M M Wollacott, Alexandre Zanghellini, Paul Murphy, David Baker

Protein Sci (22 December 2006)

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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.

@article{citeulike:1061550, 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.}, author = {Wollacott, Andrew M M. and Zanghellini, Alexandre and Murphy, Paul and Baker, David }, citeulike-article-id = {1061550}, doi = {http://dx.doi.org/10.1110/ps.062270707}, issn = {0961-8368}, journal = {Protein Sci}, keywords = {domain, prediction, protein, structure}, month = {December}, posted-at = {2007-04-16 13:37:00}, priority = {2}, title = {Prediction of structures of multidomain proteins from structures of the individual domains.}, url = {http://dx.doi.org/10.1110/ps.062270707}, year = {2006} }

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TY - JOUR ID - citeulike:1061550 L3 - citeulike-article-id:1061550 TI - Prediction of structures of multidomain proteins from structures of the individual domains. JF - Protein Sci SN - 0961-8368 N2 - 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. KW - domain KW - prediction KW - protein KW - structure AU - Wollacott, Andrew M AU - Zanghellini, Alexandre AU - Murphy, Paul AU - Baker, David PY - 2006/12/22/ UR - http://dx.doi.org/10.1110/ps.062270707 ER -

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