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    標題: A High Performance Cloud-Based Protein-Ligand Docking Prediction Algorithm
    作者: Chen, Jui-Le
    Tsai, Chun-Wei
    Chiang, Ming-Chao
    Yang, Chu-Sing
    貢獻者: 資訊多媒體應用系
    關鍵字: Parallel Genetic Algorithms
    Automated Docking
    Crystal-Structure
    Optimization
    Inhibitor
    Complex
    日期: 2013-07
    上傳時間: 2014-05-26 10:42:33 (UTC+8)
    出版者: Hindawi Publishing Corporation
    摘要: The potential of predicting druggability for a particular disease by integrating biological and computer science technologies has witnessed success in recent years. Although the computer science technologies can be used to reduce the costs of the pharmaceutical research, the computation time of the structure-based protein-ligand docking prediction is still unsatisfied until now. Hence, in this paper, a novel docking prediction algorithm, named fast cloud-based protein-ligand docking prediction algorithm (FCPLDPA), is presented to accelerate the docking prediction algorithm. The proposed algorithm works by leveraging two high-performance operators: (1) the novel migration (information exchange) operator is designed specially for cloud-based environments to reduce the computation time; (2) the efficient operator is aimed at filtering out the worst search directions. Our simulation results illustrate that the proposed method outperforms the other docking algorithms compared in this paper in terms of both the computation time and the quality of the end result.
    關聯: Biomed Research International, v.2013 n.909717-
    顯示於類別:[資訊多媒體應用系] 期刊論文

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