Computer Science ›› 2015, Vol. 42 ›› Issue (3): 237-240.doi: 10.11896/j.issn.1002-137X.2015.03.049

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Protein Conformational Space Optimization Algorithm Based on Fragment-assembly

HAO Xiao-hu, ZHANG Gui-jun, ZHOU Xiao-gen, CHENG Zheng-hua and ZHANG Qi-peng   

  • Online:2018-11-14 Published:2018-11-14

Abstract: An optimization algorithm based on fragment-assembly was proposed for the optimization problems of protein conformational space.The algorithm employs Rosetta energy model based on the knowledge and coarse-grained to improve the convergence rate.Simultaneously,fragment-assembly techniques are able to compensate the defect of prediction accuracies caused by the inaccuracy of energy functions.The introduction of differential evolution algorithm successfully improves the global searching capability of the algorithm as well.The experiments on five test proteins verify the superior searching performance and prediction accuracy of the proposed algorithm.

Key words: Protein structure prediction,Fragment-assembly,Differential evolution algorithm,Rosetta knowledge-based coarse-grained energy model

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