The distribution of binding modes is in Figure from 1000's of docking runs with exhaustive search parameters. There appear to be 4 primary Molecule 48:32/Mpro docking modes at 52, 60, 73, and 82. The score distributions (representing binding energy) and their widths in the histogram should be taken into account in comparing computationally the ligand binding of Nirmatrelvir versus molecule 48:32. All of the modes of molecule 48:32 are higher in binding score (energy) comparatively, with the 83 one from 48 32 Mpro much larger. The number of rotatable bonds is 6 and comparing to Nirmatrelvir's 9 is a 33% reduction. There are fewer rotatable degrees of freedom; the fewer rotations could be a source of the differences such as 4 major center points of its PLP score distribution in Figure , as compared to 2 of Nirmatrelvir in Figure .