Figure 12. Histogram of protein ligand contacts generated for residues that occur for more than 64.0% of the simulation time in the selected trajectory.
A) streptomycin/SARS-CoV-2-S complex; B) ciprofloxacin SARS-CoV-2-S complex; C) glycyrrhizic acid/SARS-CoV-2-S complex. Desmond version 4.2 42. This analysis could also have been performed using open source software such as GROMACS 43.
