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Author:

Wang Li (Wang Li.) | Weng Zi-jun (Weng Zi-jun.) | Liang Yi (Liang Yi.) | Wang Yong (Wang Yong.) | Di Rui-hua (Di Rui-hua.)

Indexed by:

CPCI-S

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.

Keyword:

Genetic Algorithm Molecular docking Parallel Lamarckian Genetic Algorithm MPI

Author Community:

  • [ 1 ] [Wang Li]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China
  • [ 2 ] [Weng Zi-jun]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China
  • [ 3 ] [Liang Yi]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China
  • [ 4 ] [Wang Yong]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China
  • [ 5 ] [Di Rui-hua]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Wang Li]Beijing Univ Technol, Coll Comp Sci, Beijing 100124, Peoples R China

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Source :

HPCC 2008: 10TH IEEE INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING AND COMMUNICATIONS, PROCEEDINGS

Year: 2008

Page: 689-694

Language: English

Cited Count:

WoS CC Cited Count: 5

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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