Parallel program of molecule docking based on drug discovery grid

Zhongshan Daxue Xuebao/Acta Scientiarum Natralium Universitatis Sunyatseni(2006)

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摘要
First, the drug molecule docking and drug discovery grid was introduced. Second, a parallel computing program of drug molecule docking is introduced, which can replace the part of drug discovery grid when gird is reified to a single parallel computer. At last, a contrast and analysis in timing of the results which are obtained by this parallel program and drug discovery grid is made.
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关键词
Grid,Molecule docking,Parallel computing
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