吉林大学学报(工学版) ›› 2015, Vol. 45 ›› Issue (4): 1253-1259.doi: 10.13229/j.cnki.jdxbgxb201504033

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药物分子对接动态任务迁移优化

董悦丽, 郭权, 孙斌, 康玲   

  1. 大连东软信息学院,辽宁 大连 116023
  • 收稿日期:2013-09-28 出版日期:2015-07-01 发布日期:2015-07-01
  • 作者简介:董悦丽(1973-),女,教授.研究方向:计算机网络,药物分子设计.E-mail:dongyueli@neusoft.edu.cn
  • 基金资助:
    国家自然科学基金项目(61170169, 61170168); “973”国家重点基础研究发展计划项目(2009CB918501)

Dynamic task migration optimization for molecule docking

DONG Yue-li, GUO Quan, SUN Bin, KANG Ling   

  1. Dalian Neusoft University of Information, Dalian 116023,China
  • Received:2013-09-28 Online:2015-07-01 Published:2015-07-01

摘要: 针对药物分子对接任务,基于传统动态任务迁移方法,提出了药物分子对接任务迁移优化策略。通过分析任务动态迁移涉及的各结点自身中断事件发生次数的数学期望和方差,得出了各结点的即时可靠性评价参数,选取可靠性高的目标结点机。在源结点和可靠的目标结点之间实施增量数据预迁移,缩短了停机拷贝时间。最后的实例测试表明,药物分子对接效率和可靠性得到了提高。

关键词: 计算机系统结构, 计算机网络, 虚拟机, 任务迁移, 分子对接, 配体, 受体

Abstract: In this paper an optimization strategy of dynamic task migration for molecule docking is proposed based traditional task migration method. The mean and variance of the number of sequential jobs of each node are analyzed to obtain the coefficient of variation reliability, thus, to increase the efficiency and security of molecule docking tasks. An incremental data migration is carried out from the source node to a high reliable target node, and the time of downtime copy is shortened. The results of case study show that the efficiency and security of molecule docking tasks are improved.

Key words: computer architecture, computer network, virtual machine, task migration, molecule docking, ligand, receptor

中图分类号: 

  • TP393.1
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