Generic framework for mining cellular automata models on protein-folding simulations

被引:0
作者
Diaz, N. [1 ,2 ]
Tischer, I. [2 ]
机构
[1] Univ Cauca, Dept Sistemas, Popayan, Colombia
[2] Univ Valle, Escuela Ingn Sistemas & Computac, Cali, Colombia
关键词
Protein folding; Cellular automata; Data mining; Architectural framework; Metaheuristics; Molecular dynamics; MOLECULAR-DYNAMICS; CONTACT MAPS; SPACE;
D O I
10.4238/gmr.15028654
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Cellular automata model identification is an important way of building simplified simulation models. In this study, we describe a generic architectural framework to ease the development process of new metaheuristic-based algorithms for cellular automata model identification in protein-folding trajectories. Our framework was developed by a methodology based on design patterns that allow an improved experience for new algorithms development. The usefulness of the proposed framework is demonstrated by the implementation of four algorithms, able to obtain extremely precise cellular automata models of the protein-folding process with a protein contact map representation. Dynamic rules obtained by the proposed approach are discussed, and future use for the new tool is outlined.
引用
收藏
页数:16
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