Protein model refinement using structural fragment tessellation.

Inge Jonassen; Daniel Klose; William R Taylor

doi:10.1016/j.compbiolchem.2006.08.002

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Protein model refinement using structural fragment tessellation.

Inge Jonassen·Daniel Klose·William R Taylor

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Abstract

A method is described for the refinement of rough protein models based on finding a selection of structural fragments that match the model. Unlike most fragment-based methods, these are not necessarily contiguous in the sequence and form a tiling (tessellation) that covers most of the structure. The residue positions of the fragments are then used as a target for the model atoms to generate a revised model which is used as the basis of a subsequent pattern definition and search. The method was shown to improve the recognition of the native fold in a series of decoys largely as a result of improved secondary structure representation.

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Algorithms Computer Simulation Models, Molecular Protein Conformation Protein Structure, Secondary Proteins Journal Article Research Support, Non-U.S. Gov't

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Inge Jonassen, Daniel Klose, William R Taylor. 2006-09-18. Protein model refinement using structural fragment tessellation.. https://doi.org/10.1016/j.compbiolchem.2006.08.002

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