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Author Tao Zhang ♦ Wei Chen ♦ Min Hu ♦ QunSheng Peng
Source IEEE Xplore Digital Library
Content type Text
Publisher Institute of Electrical and Electronics Engineers, Inc. (IEEE)
File Format PDF
Copyright Year ©2005
Language English
Subject Domain (in DDC) Computer science, information & general works ♦ Data processing & computer science
Subject Keyword Proteins ♦ Histograms ♦ Sequences ♦ Shape ♦ Spine ♦ Laboratories ♦ Harmonic analysis ♦ Band pass filters ♦ Rotation measurement ♦ Computational biology
Abstract Most of the existing algorithms for protein similarity comparison focus on the sequence comparison and structure comparison. However, the 3D structure of a protein is determined by the force field generated by all of its atoms in essence. Thus the similarity of force field implies the similarity of 3D structure. In this paper, we propose a novel approach to compare the similarity of protein's force fields. First, we use blurred map to sample the force field into volumetric data sets. Second, the volume data set is resampled into a unified resolution. Third, the data set is band-pass filtered and quantized to reveal its physical attributes. The resulting voxels are then normalized into a canonical coordinate system concerning the center of mass and scale. Subsequently, a series of uniformly spaced concentric shells around the center of mass are constructed, based on which spherical harmonics analysis (SHA) is applied. The coefficient of SHA constitutes rotation invariant spectrum descriptors which are used to measure the similarity between two data sets. The algorithm has been performed on a set of proteins (taken from PDB) and the preliminary results are fairly inspiring.
Description Author affiliation: State Key Lab. of CAD & CG, Zhejiang Univ., China (Tao Zhang; Wei Chen; Min Hu; QunSheng Peng)
ISBN 0769524737
Educational Role Student ♦ Teacher
Age Range above 22 year
Educational Use Research ♦ Reading
Education Level UG and PG
Learning Resource Type Article
Publisher Date 2005-12-07
Publisher Place China
Rights Holder Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Size (in Bytes) 132.37 kB

Source: IEEE Xplore Digital Library