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15th IEEE International Conference on Tools with Artificial Intelligence (ICTAI'03)
Pairwise Protein Structure Alignment Based on an Orientation-Independent Representation of the Backbone Geometry
Sacramento, California, USA
November 03-November 05
ISBN: 0-7695-2038-3
Jieping Ye, University of Minnesota
Ravi Janardan, University of Minnesota
Songtao Liu, University of Alberta
Determining structural similarities between proteins is an important problem since it can help identify functional and evolutionary relationships. In this paper, an algorithm is proposed to align two protein structures. Given the protein backbones, the algorithm finds a rigid motion of one backbone onto the other such that large substructures are matched. The algorithm uses a representation of the backbones that is independent of their relative orientations in space and applies dynamic programming to this representation to compute an initial alignment, which is then refined iteratively. Experiments indicate that the algorithm is competitive with two well-known algorithms, namely DALI [12] and LOCK [19].
Index Terms:
structure alignment, dynamic programming, singular value decomposition, Frobenius norm, root-mean squared deviation, rigid motion
Citation:
Jieping Ye, Ravi Janardan, Songtao Liu, "Pairwise Protein Structure Alignment Based on an Orientation-Independent Representation of the Backbone Geometry," ictai, pp.2, 15th IEEE International Conference on Tools with Artificial Intelligence (ICTAI'03), 2003
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