ゲノム情報科学研究教育機構  アブストラクト
Date May 28, 2012
Speaker Dr. Daisuke Kihara, Department of Biological Sciences/Computer Science, Purdue University, West Lafayette, IN, USA
Title Predictions of Structures of Protein Interactions
Abstract Protein-protein binding events mediate many important biological functions in a cell. To provide molecular view of interacting proteins, our group has been developing a series of methods for predicting protein docking interfaces as well as the three dimensional structure of protein docking complexes. In this presentation, first we will introduce a protein docking algorithm, LZerD. LZerD uses the 3D Zernike descriptor, a rotational invariant mathematical representation of protein surfaces, to detect shape complementarity of interaction sites. Then, I will introduce our methods for predicting docking interface regions in protein surfaces, which detects binding site specific mutation patterns (BindML). As a subsequent work, we have developed a protein docking algorithm, which uses imperfect predicted protein-protein docking interface information (PI_LZerD). Finally, we present Multi-LZerD, which can predict the structure of multiple docking proteins by combining pairwise docking prediction computed by LZerD and the EM-LZerD method that fit multiple component structures into a low-resolution electron microscopy maps.

References
Multi-LZerD: Multiple protein docking for asymmetric complexes. J. Esquivel-Rodriguez, Y.D. Yang, & D. Kihara Proteins: Structure, Function, and Bioinformatics, in press (2012)
Fitting multimeric protein complexes into electron microscopy maps using 3D Zernike descriptors. J. Esquivel-Rodriguez, & D. Kihara Journal of Physical Chemistry B, in press (2012)
Protein docking prediction using predicted protein-protein interface. B. Li & D. Kihara, BMC Bioinformatics, 13: 7 (2012)
A novel method for protein-protein interaction site prediction using phylogenetic substitution models. D. La & D. Kihara Proteins: Structure, Function, and Bioinformatics, 80: 126-141 (2012)
Protein-protein docking using region-based 3D Zernike descriptors. V. Venkatraman, Y.D. Yang, L. Sael & D. Kihara BMC Bioinformatics, 10: 407. (2009)
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