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Abstract：
Based on message passing interface (MPI), Autodock code is modified by two parallel methods and applied to dock small molecules XK263 to target HIV-1 protease. The acceleration rate and parallel efficiency are tested with different number of nodes. The improved Autodock codes show a satisfied performance during docking process. Particularly, Scheme II has advantages in acceleration rate and parallel efficiency.
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Chinese Journal of Computational Physics
ISSN： 1001-246X
Year： 2008
Issue： 2
Volume： 25
Page： 241-246
Cited Count：
WoS CC Cited Count： 0
SCOPUS Cited Count：
ESI Highly Cited Papers on the List： 0 Unfold All
WanFang Cited Count：
Chinese Cited Count：
30 Days PV： 7
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