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http://dx.doi.org/10.3745/KTCCS.2015.4.1.1

An Algorithm for Computing Valid Side Chain Conformations for Finding Transformed Channels in a Protein Molecule  

Choi, Jihoon (경북대학교 컴퓨터학부)
Kim, Byungjoo (경북대학교 컴퓨터학부)
Kim, Ku-Jin (경북대학교 컴퓨터학부)
Publication Information
KIPS Transactions on Computer and Communication Systems / v.4, no.1, 2015 , pp. 1-4 More about this Journal
Abstract
This paper presents an algorithm for finding valid side chain conformations of amino acids, when given channel is transformed. The suggested algorithm implements a protein molecule with flexible side chains based on the flexibility of amino acids, and extracts adjacent amino acids that affect the formation of the channel. We detect the collision between adjacent amino acids and neighbors, in order to exclude invalid side chain conformations. Then, we construct the rotation angle combination tree to choose valid side chain conformations.
Keywords
Flexible Protein Molecule; Side Chain Conformation; Rotamer Angle; Channel;
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