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(A) Performance impact of four GPU optimizations over a baseline implementation. Ten instances are randomly chosen. (B) Comparing docking quality for 100 picked instances: possible correlation between RMSD ratio (i.e., RMSDCPU/RMSDGPU) and docking time. Values greater than 1 indicate GPU implementation outperforms CPU. (C) Comparing docking quality for 100 picked instances: Energy and RMSD ratios were obtained for various instances.
