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. Author manuscript; available in PMC: 2023 Nov 21.
Published in final edited form as: J Phys Chem B. 2021 Jan 26;125(4):1049–1060. doi: 10.1021/acs.jpcb.0c09051

Table 4.

Docking Quality Comparison Using Root Mean Square Deviation (RMSD)

δ = 1.1 × max(EGPU,ECPU) δ = 1.1 × max(EGPU,ECPU)
total 1268 2607
common 471 (both low) 2138 (similar)
GPU 409 (low GPU-only) 280 (GPU lower)
CPU 388 (low CPU-only) 189 (CPU lower)