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Title 

Statistical torsion angle potential energy functions for protein structure modeling: a bicubic interpolation approach

Authors 

T R KimJ S YangS ShinJinhyuk Lee

Publisher 

Wiley-Blackwell

Issue Date 

2013

Citation 

Proteines, vol. 81, no. 7, pp. 1156-1165

Keywords 

Bicubic interpolationStatistical potentialStructure modelingTorsion angle

Abstract 

A set of grid type knowledge-based energy functions is introduced for φ{symbol}-χ1, ψ-χ1, φ{symbol}-ψ, and χ1-χ2 torsion angle combinations. Boltzmann distribution is assumed for the torsion angle populations from protein X-ray structures, and the functions are named as statistical torsion angle potential energy functions. The grid points around periodic boundaries are duplicated to force periodicity, and the remedy relieves the derivative discontinuity problem. The devised functions rapidly improve the quality of model structures. The potential bias in the functions and the usefulness of additional secondary structure information are also investigated. The proposed guiding functions are expected to facilitate protein structure modeling, such as protein structure prediction, protein design, and structure refinement.

ISSN 

0887-3585

Link 

http://dx.doi.org/10.1002/prot.24265

Appears in Collections

1. Journal Articles > Journal Articles

Registered Date

2017-04-19


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