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  5. gWEGA:GPU-Accelerated WEGA as a High Performance Virtual Screening Engine

gWEGA:GPU-Accelerated WEGA as a High Performance Virtual Screening Engine

来源 :全国药物化学学术会议暨第四届中英药物化学学术会议 | 被引量 : 0次 | 上传用户：kongzathu
【摘 要】
：
Purposes.We have published a WEGA(Weighted Gaussian Algorithm)for molecular shape comparison,which is the engine of virtual drug screening.The algorithm is implemented in a single CPU system.Modern hi
【出 处】
：
全国药物化学学术会议暨第四届中英药物化学学术会议
【发表日期】
：
2013年11期
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　　Purposes.We have published a WEGA(Weighted Gaussian Algorithm)for molecular shape comparison,which is the engine of virtual drug screening.The algorithm is implemented in a single CPU system.Modern high performance computing(HPC)centers usually have combined CPU and GPU architecture.
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