A High Performance Cloud-Based Protein-Ligand Docking Prediction Algorithm

doi:10.1155/2013/909717

CNU IR > College of Smart Living > Dept. of Multimedia and Game Development > Periodical Articles > Item 310902800/27760

Please use this identifier to cite or link to this item: https://ir.cnu.edu.tw/handle/310902800/27760

题名:	A High Performance Cloud-Based Protein-Ligand Docking Prediction Algorithm
作者:	Chen, Jui-Le Tsai, Chun-Wei Chiang, Ming-Chao Yang, Chu-Sing
贡献者:	資訊多媒體應用系
关键词:	Parallel Genetic Algorithms Automated Docking Crystal-Structure Optimization Inhibitor Complex
日期:	2013-07
上传时间:	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-
显示于类别:	[Dept. of Multimedia and Game Development] Periodical Articles

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