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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.
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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
Affiliated Colleges: