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Author:

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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Abstract:

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.

Keyword:

Genetic algorithms Macromolecules Molecular modeling Ligands

Author Community:

  • [ 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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Year: 2008

Page: 689-694

Language: English

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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