Title
Fast Molecular Shape Matching Using Contact Maps
Abstract
In this paper, we study the problem of computing the similarity of two protein structures by measuring their contact-map overlap. Contact-map overlap abstracts the problem of computing the similarity of two polygonal chains as a graph-theoretic problem. In R-3, we present the first polynomial time algorithm with any guarantee on the approximation ratio for the 3-dimensional problem. More precisely, we give an algorithm for the contact-map overlap problem with an approximation ratio of sigma where sigma = min{sigma( P-1), sigma( P-2)} <= O( n(1/2)) is a decomposition parameter depending on the input polygonal chains P-1 and P-2. In R-2, we improve the running time of the previous best known approximation algorithm from O(n(6)) to O(n(3) log n) at the cost of decreasing the approximation ratio by half. We also give hardness results for the problem in three dimensions, suggesting that approximating it better than O(n(epsilon)), for some epsilon > 0, is hard.
Year
DOI
Venue
2007
10.1089/cmb.2007.0004
JOURNAL OF COMPUTATIONAL BIOLOGY
Keywords
DocType
Volume
shape matching,molecular structures,contact maps,graph theory
Journal
14.0
Issue
ISSN
Citations 
2
1066-5277
8
PageRank 
References 
Authors
0.54
7
3
Name
Order
Citations
PageRank
Pankaj K. Agarwal15257593.81
Nabil H. Mustafa239041.24
Yusu Wang386057.40