An improved genetic algorithm for statistical potential function design and protein structure prediction

Protein structure prediction is an important but far from being well-resolved problem in computational biology. It is generally regarded that the native structures of proteins correspond to minimum-energy states. Potential functions are useful in protein structure prediction. To obtain the optimal parameters of protein potential functions, we introduced several strategies to improve the basic Genetic Algorithm (GA). The improved GA was employed in statistical potential function design and protein structure prediction, and experimental results validate the effectiveness and efficiency of the proposed algorithm.

[1]  N. Linial,et al.  On the design and analysis of protein folding potentials , 2000, Proteins.

[2]  Jian Qiu,et al.  Atomically detailed potentials to recognize native and approximate protein structures , 2005, Proteins.

[3]  Yih-Fuh Wang,et al.  Improved genetic algorithm to solve preplanned backup path on WDM networks , 2005, 19th International Conference on Advanced Information Networking and Applications (AINA'05) Volume 1 (AINA papers).

[4]  Ron Elber,et al.  Large-scale linear programming techniques for the design of protein folding potentials , 2004, Math. Program..

[5]  Xiaolong Wang,et al.  Novel knowledge-based mean force potential at the profile level , 2006, BMC Bioinformatics.

[6]  A. Liwo,et al.  A united‐residue force field for off‐lattice protein‐structure simulations. I. Functional forms and parameters of long‐range side‐chain interaction potentials from protein crystal data , 1997 .

[7]  D. Janaki Ram,et al.  Parallel Simulated Annealing Algorithms , 1996, J. Parallel Distributed Comput..

[8]  Shuigeng Zhou,et al.  Empirical Probability Functions Derived from Dihedral Angles for Protein Structure Prediction , 2009, 2009 Ninth IEEE International Conference on Bioinformatics and BioEngineering.

[9]  A. E. Eiben,et al.  Introduction to Evolutionary Computing , 2003, Natural Computing Series.

[10]  T. Dandekar,et al.  Improving genetic algorithms for protein folding simulations by systematic crossover. , 1999, Bio Systems.

[11]  Shoji Takada,et al.  Optimizing physical energy functions for protein folding , 2003, Proteins.

[12]  Hak-Keung Lam,et al.  Tuning of the structure and parameters of a neural network using an improved genetic algorithm , 2003, IEEE Trans. Neural Networks.

[13]  Kotaro Hirasawa,et al.  GARS: an improved genetic algorithm with reserve selection for global optimization , 2007, GECCO '07.

[14]  Junliang Chen,et al.  An Improved Genetic Algorithm for Web Services Selection , 2007, DAIS.

[15]  D. Shortle Composites of local structure propensities: evidence for local encoding of long-range structure. , 2002, Protein science : a publication of the Protein Society.

[16]  Christodoulos A. Floudas,et al.  A novel high resolution CαCα distance dependent force field based on a high quality decoy set , 2006 .

[17]  Zbigniew Michalewicz,et al.  Parameter control in evolutionary algorithms , 1999, IEEE Trans. Evol. Comput..

[18]  David E. Goldberg,et al.  Genetic Algorithms in Search Optimization and Machine Learning , 1988 .

[19]  R. Srinivasan,et al.  The Flory isolated-pair hypothesis is not valid for polypeptide chains: implications for protein folding. , 2000, Proceedings of the National Academy of Sciences of the United States of America.

[20]  M J Sippl,et al.  Knowledge-based potentials for proteins. , 1995, Current opinion in structural biology.

[21]  Jianpeng Ma,et al.  OPUS-PSP: an orientation-dependent statistical all-atom potential derived from side-chain packing. , 2008, Journal of molecular biology.

[22]  A. Sima Etaner-Uyar,et al.  Preserving Diversity through Diploidy and Meiosis for Improved Genetic Algorithm Performance in Dynamic Environments , 2002, ADVIS.

[23]  C. Anfinsen Principles that govern the folding of protein chains. , 1973, Science.

[24]  Shuigeng Zhou,et al.  Novel Nonlinear Knowledge-Based Mean Force Potentials Based on Machine Learning , 2011, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

[25]  Ruben Romero,et al.  Transmission system expansion planning by simulated annealing , 1995 .

[26]  C. Brooks,et al.  Exploring Flory's isolated-pair hypothesis: Statistical mechanics of helix–coil transitions in polyalanine and the C-peptide from RNase A , 2003, Proceedings of the National Academy of Sciences of the United States of America.

[27]  D. E. Goldberg,et al.  Genetic Algorithms in Search , 1989 .

[28]  A. Liwo,et al.  A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[29]  Pavol Bauer,et al.  Improved genetic algorithm inspired by biological evolution , 2007, Soft Comput..

[30]  M. Volkenstein,et al.  Statistical mechanics of chain molecules , 1969 .

[31]  W. Kabsch,et al.  Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features , 1983, Biopolymers.

[32]  R. Elber,et al.  Distance‐dependent, pair potential for protein folding: Results from linear optimization , 2000, Proteins.

[33]  C A Floudas,et al.  Distance dependent centroid to centroid force fields using high resolution decoys , 2008, Proteins.

[34]  F. Melo,et al.  Novel knowledge-based mean force potential at atomic level. , 1997, Journal of molecular biology.