Bioinformatics, Vol 14, 516-522, Copyright © 1998 by Oxford University Press
X Pennec and N Ayache
MOTIVATION: Most biological actions of proteins depend on some typical
parts of their three-dimensional structure, called 3D motifs. It is
desirable to find automatically common geometric substructures between
proteins to discover similarities in new structures or to model precisely a
particular motif. Most algorithms for structural comparison of proteins
deal with large (fold) similarities. Here, we focus on small but precise
similarities. RESULTS: We propose a new 3D substructure matching algorithm
based on geometric hashing techniques. The key feature of the method is the
introduction of a 3D reference frame attached to each residue. This allows
us to reduce drastically the complexity of the recognition. Our
experimental results confirm the validity of the approach and allow us to
find smaller similarities than previous methods. AVAILABILITY: The program
uses commercial libraries and thus cannot be completely freely distributed.
It can be found at ftp://www.inria.fr in the directory
epidaure/Outgoing/xpennec/Prospect, but it requires a key to be run,
available by request to xavier.pennec@sophia.inria.fr CONTACT:
Xavier.Pennec@sophia.inria.fr; Nicholas.Ayache@sophia.inria.fr
ARTICLES
A geometric algorithm to find small but highly similar 3D substructures in proteins
INRIA, BP 93, 2004 route des Lucioles, 06902 Sophia Antipolis Cedex, France. Xavier.Pennec@sophia.inria.fr
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