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| 題 名 | Intuitive GA and Lyapunov to Promote Molecular Docking Efficiency for Drug Design |
|---|---|
| 作 者 | Sung, Wen-tsai; | 書刊名 | Journal of Medical and Biological Engineering |
| 卷 期 | 29:1 2009.02[民98.02] |
| 頁 次 | 頁39-45 |
| 分類號 | 410.01336 |
| 關鍵詞 | Drug docking; Bioengineer; Minimum energy; Protein folding; Intuitive GA; Lyapunov; |
| 語 文 | 英文(English) |
| 英文摘要 | This paper presents a novel Intuitive Genetic Algorithm (GA) to improve the efficiency of molecular docking for drug design. Previous research has shown that docking is a crucial component of drug development. The number of docking sites affects the drug docking speed. Reducing the scope of the geometry search is the key task. This paper compares four geometry search methods as follows: Monte Carlo, Simulated Annealing, Genetic Algorithms and Intuitive GA. Geometry search based on conventional random GA methods was also compared when searching using a grid-based methodology in docking four HW-1 protease-ligand complexes with known three-dimensional (3D) structures. Our results showed that the Intuitive GA was better in terms of processing the search operation of geometry graphics. Our simulation also demonstrated that Intuitive GA could sieve out the approach closer to global energy minimum from the raw and plenty docking sites. |
本系統中英文摘要資訊取自各篇刊載內容。