Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/14581
Title: Simulation of protein docking using spherical polar fourier correlations and a genetic algorithm
Authors: ZOU SHENGXIN
Keywords: protein, docking,spherical, fourier, correlations, genetic
Issue Date: 6-May-2005
Source: ZOU SHENGXIN (2005-05-06). Simulation of protein docking using spherical polar fourier correlations and a genetic algorithm. ScholarBank@NUS Repository.
Abstract: Protein-protein docking problem represents a fundamental aspect of biological function. Protein docking studies are therefore important as an aid to our understanding of the ways in which proteins associate. In this thesis, a rigid-body protein-protein docking method based on shape complementarity using spherical polar Fourier correlations and the micro genetic algorithm is introduced. In the method, the molecular surface is represented by real spherical harmonic functions. A novel algorithm for this representation is proposed. Such a representation of molecular surface is further developed into a shape representation with the radial function. The detailed procedure to determine the radial function is described. Finally, the shape complementarity scorning function based on this shape representation is expressed as a continuous function of the six rigid-body degrees of freedom. With the application of the micro genetic algorithm, the docking search can be performed extremely rapidly and the solutions with high accuracy are obtained.
URI: http://scholarbank.nus.edu.sg/handle/10635/14581
Appears in Collections:Master's Theses (Open)

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