A Hybrid Local Search for Simplified Protein Structure Prediction

作者: Swakkhar Shatabda , Duc Nghia Pham , M. A. Hakim Newton , Abdul Sattar

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摘要: Protein structure prediction based on Hydrophobic-Polar energy model essentially becomes searching for a conformation having compact hydrophobic core at the center. The minimizes interaction between amino acids of given protein. Local search algorithms can quickly find very good conformations by moving repeatedly from current solution to its "best" neighbor. However, once such is found, stagnates and spends enormous effort in quest an alternative core. In this paper, we attempt restructure segments with We select one large segment or number small apply exhaustive local search. also mix heuristics so that heuristic help escape minima another. evaluated our algorithm using Face Centered Cubic (FCC) Lattice set standard benchmark proteins obtain significantly better results than state-of-the-art methods.

参考文章(12)
M Newton, Duc Pham, Abdul Sattar, Michael Maher, Kangaroo: an efficient constraint-based local search system using lazy propagation principles and practice of constraint programming. pp. 645- 659 ,(2011) , 10.1007/978-3-642-23786-7_49
Pascal Van Hentenryck, Russell Bent, Randomized adaptive spatial decoupling for large-scale vehicle routing with time windows national conference on artificial intelligence. pp. 173- 178 ,(2007)
A. Dayem Ullah, L. Kapsokalivas, M. Mann, K. Steinhöfel, Protein Folding Simulation by Two-Stage Optimization Communications in Computer and Information Science. ,vol. 51, pp. 138- 145 ,(2009) , 10.1007/978-3-642-04962-0_16
Ivan Dotu, Manuel Cebrián, Pascal Van Hentenryck, Peter Clote, Protein Structure Prediction with Large Neighborhood Constraint Programming Search principles and practice of constraint programming. pp. 82- 96 ,(2008) , 10.1007/978-3-540-85958-1_6
Kit Fun Lau, Ken A. Dill, A lattice statistical mechanics model of the conformational and sequence spaces of proteins Macromolecules. ,vol. 22, pp. 3986- 3997 ,(1989) , 10.1021/MA00200A030
Martin Mann, Sebastian Will, Rolf Backofen, CPSP-tools – Exact and complete algorithms for high-throughput 3D lattice protein studies BMC Bioinformatics. ,vol. 9, pp. 230- 230 ,(2008) , 10.1186/1471-2105-9-230
Agostino Dovier, Enrico Pontelli, Alessandro Dal Palù, A constraint solver for discrete lattices, its parallelization, and application to protein structure prediction Software - Practice and Experience. ,vol. 37, pp. 1405- 1449 ,(2007) , 10.1002/SPE.V37:13
Md Tamjidul Hoque, Madhu Chetty, Abdul Sattar, Protein folding prediction in 3D FCC HP lattice model using genetic algorithm congress on evolutionary computation. pp. 4138- 4145 ,(2007) , 10.1109/CEC.2007.4425011
K. Yue, K. A. Dill, Forces of tertiary structural organization in globular proteins. Proceedings of the National Academy of Sciences of the United States of America. ,vol. 92, pp. 146- 150 ,(1995) , 10.1073/PNAS.92.1.146
Abu Dayem Ullah, Kathleen Steinhöfel, A hybrid approach to protein folding problem integrating constraint programming with local search. BMC Bioinformatics. ,vol. 11, pp. 1- 9 ,(2010) , 10.1186/1471-2105-11-S1-S39