Computer Science ›› 2020, Vol. 47 ›› Issue (1): 59-65.doi: 10.11896/jsjkx.181202395

• Computer Science Theory • Previous Articles     Next Articles

Contact Map-based Residue-pair Distances Restrained Protein Structure Prediction Algorithm

XIE Teng-yu1,ZHOU Xiao-gen2,HU Jun1,ZHANG Gui-jun1   

  1. (College of Information Engineering,Zhejiang University of Technology,Hangzhou 310023,China)1;
    (Department of Computational Medicine and Bioinformatics,University of Michigan,Ann Arbor,MI 45108,USA)2
  • Received:2018-12-24 Published:2020-01-19
  • About author:XIE Teng-yu,born in 1993,postgra-duate.Her main research interests include intelligent information processing,optimization theory and algorithm design and bioinformatics;ZHANG Gui-jun,born in 1974,Ph.D,professor,Ph.D supervisor,is a member of China Computer Federation (CCF).His main research interests include intelligent information processing,optimization theory and algorithm design and bioinformatics.
  • Supported by:
    This work was supported by the National Natural Science Foundation of China (61773346) and Zhejiang Provincial Science Foundation of China (LZ20F030002).

Abstract: De novo prediction is an important method for protein structure modeling.Research of the method contributes to humanity’s understanding of protein functions to conduct drug design and disease treatments.In order to improve the accuracy of prediction,contact map-based residue-pair distances restrained protein structure prediction algorithm (CDPSP) was proposed.Based on the framework of evolutionary algorithm,CDPSP was used to sample conformational space,which was divided into exploration and exploitation stages.In the exploration stage,the strategies of mutation and selection were designed on the basis of the distances of residue-pair,which can increase the diversity of the population.In detail,a residue-pair was chosen according to the contact probability of contact map and the mutation was conducted through fragment assembly technique on the adjacent region of the residue-pair.The selection of mutated conformation was determined by the expected probability distributed through the discretization of residue-pair distances.In the exploitation stage,the contact-based score and energy function were used to evaluate the quality of conformations in search of good conformations,which can enhance the sampling ability of CDPSP in near-native region.In order to verify the performance of the proposed algorithm,CDPSP is tested on 10 targets in the FM group of CASP12 and compared with advanced algorithms.The test results show that CDPSP can predict more accurate protein tertiary structure models.

Key words: Protein structure prediction, De novo prediction, Distances of residue-pair, Contact map, Evolutionary algorithm, Fragment assembly

CLC Number: 

  • TP301.6
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