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罗塞塔在蛋白质结构预测技术关键评估第4轮中的表现:从头算蛋白质结构预测的进展

Rosetta in CASP4: progress in ab initio protein structure prediction.

作者信息

Bonneau R, Tsai J, Ruczinski I, Chivian D, Rohl C, Strauss C E, Baker D

机构信息

Department of Biochemistry, University of Washington, Seattle, Washington 98195, USA.

出版信息

Proteins. 2001;Suppl 5:119-26. doi: 10.1002/prot.1170.

Abstract

Rosetta ab initio protein structure predictions in CASP4 were considerably more consistent and more accurate than previous ab initio structure predictions. Large segments were correctly predicted (>50 residues superimposed within an RMSD of 6.5 A) for 16 of the 21 domains under 300 residues for which models were submitted. Models with the global fold largely correct were produced for several targets with new folds, and for several difficult fold recognition targets, the Rosetta models were more accurate than those produced with traditional fold recognition models. These promising results suggest that Rosetta may soon be able to contribute to the interpretation of genome sequence information.

摘要

在蛋白质结构预测技术关键评估第4轮(CASP4)中,从头开始的蛋白质结构预测比以往的从头开始结构预测更为一致且更为准确。对于提交了模型的21个300个残基以下的结构域中的16个,大片段都被正确预测(超过50个残基在6.5埃的均方根偏差内叠加)。对于几个具有新折叠的目标以及几个困难的折叠识别目标,都产生了整体折叠大致正确的模型,并且Rosetta模型比传统折叠识别模型产生的模型更为准确。这些令人鼓舞的结果表明,Rosetta可能很快就能为基因组序列信息的解读做出贡献。

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