2 papers
q-bio.BM2020
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack +12
Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign. Experime…
cs.DC2018
Power and Energy-efficiency Roofline Model for GPUs
Millad Ghane, Jeff Larkin, Larry Shi +2
Energy consumption has been a great deal of concern in recent years and developers need to take energy-efficiency into account when they design algorithms. Their design needs to be…