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作者:

Wang, Li (Wang, Li.) | Weng, Zi-Jun (Weng, Zi-Jun.) | Liang, Yi (Liang, Yi.) | Wang, Yong (Wang, Yong.) | Dl, Rui-Hua (Dl, Rui-Hua.)

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摘要:

Molecular docking is one of the most important methods in computer assisted drug design, with the dreg activity of flexible ligands verified during docking to macromolecular targets, its use value could be determined. Because of the large quantity of ligands in data bank, it will be extraordinarily time-consuming to compute the interaction between ligands and macromolecules. The paper lays emphasis on Lamarckian Genetic Algorithm of Autodock, furthermore, in accordance with the key links in the Autodock program, a suite of parallel approaches is not only designed but implemented. In the end, the parallel approaches prove effective in improving the performance of Autodock through thoroughly testing. © 2008 IEEE.

关键词:

Genetic algorithms Ligands Macromolecules Molecular modeling

作者机构:

  • [ 1 ] [Wang, Li]College of Computer Science, Beijing University of Technology, Beijing 100124, China
  • [ 2 ] [Weng, Zi-Jun]College of Computer Science, Beijing University of Technology, Beijing 100124, China
  • [ 3 ] [Liang, Yi]College of Computer Science, Beijing University of Technology, Beijing 100124, China
  • [ 4 ] [Wang, Yong]College of Computer Science, Beijing University of Technology, Beijing 100124, China
  • [ 5 ] [Dl, Rui-Hua]College of Computer Science, Beijing University of Technology, Beijing 100124, China

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年份: 2008

页码: 689-694

语种: 英文

被引次数:

WoS核心集被引频次: 0

SCOPUS被引频次: 7

ESI高被引论文在榜: 0 展开所有

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