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高等学校化学研究 ›› 2005, Vol. 21 ›› Issue (1): 73-77.

• Articles • 上一篇    下一篇

A Simulated Annealing Algorithm for Training Empirical Potential Functions of Protein Folding

WANG Yu-hong, LI Wei   

  1. Department of Molecular Biology, Jilin University, Changchun 130023, P. R. China
  • 收稿日期:2004-02-24 出版日期:2005-01-24 发布日期:2011-07-27
  • 基金资助:

    Supported by the National Nataral Science Foundation of China(No.39980005)

A Simulated Annealing Algorithm for Training Empirical Potential Functions of Protein Folding

WANG Yu-hong, LI Wei   

  1. Department of Molecular Biology, Jilin University, Changchun 130023, P. R. China
  • Received:2004-02-24 Online:2005-01-24 Published:2011-07-27
  • Supported by:

    Supported by the National Nataral Science Foundation of China(No.39980005)

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摘要： In this paper are reported the local minimum problem by means of current greedy algorithm for training the empirical potential function of protein folding on 8623 non-native structures of 31 globular proteins and a solution of the problem based upon the simulated annealing algorithm.This simulated annealing algorithm is indispensable for developing and testing highly refined empirical potential functions.

关键词: Empirical potential function of protein folding, Training, Simulated annealing, Greedy algorithm

Abstract: In this paper are reported the local minimum problem by means of current greedy algorithm for training the empirical potential function of protein folding on 8623 non-native structures of 31 globular proteins and a solution of the problem based upon the simulated annealing algorithm.This simulated annealing algorithm is indispensable for developing and testing highly refined empirical potential functions.

Key words: Empirical potential function of protein folding, Training, Simulated annealing, Greedy algorithm