GOLD is a non-deterministic genetic algorithm and running it multiple times samples the possible binding states, local and global minima of the binding interaction model fitness function. Large sets of docking jobs of Nirmatrelvir and all of the molecules presented in this work was done to sample the distribution of states quantified by docking score, i.e. binding interaction energy. The histogram of the docking scores of Nirmatrelvir/Mpro is shown in Figure . There are seemingly 2 dominant modes of ligand-protein interaction, a broad one at 46 and a narrow one at 68 GOLD PLP score. A finer bin resolution points to additional sub-structure about these scores, Figure ) for example.