mD3DOCKxb: An Ultra-Scalable CPU-MIC Coordinated Virtual Screening Framework

Peng, SL; Zhang, XY; Yang, SY; Su, WH; Zhang, ZQ; Dong, D; Lu, K; Lu, YT; Liao, XK; Schmidt, B; Zhu, WL; Li, KC

Peng, SL (reprint author), Natl Univ Def Technol, Sch Comp Sci, Changsha, Hunan, Peoples R China.

2017 17TH IEEE/ACM INTERNATIONAL SYMPOSIUM ON CLUSTER, CLOUD AND GRID COMPUTING (CCGRID), 2017; ( ): 671

Abstract

Molecular docking is an important method in computational drug discovery. In large-scale virtual screening, millions of small drug-like molecules (che......

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