Fig. 9
From: Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease
a Friction profiles for four selected ligands; the profiles for the ligands binding in subpocket S1/S1’ (red/pink) show a rise starting at 0.2 nm, whereas for those binding in subpocket 2 (blue/cyan), this is absent, with an increase being observable instead at 0.3 nm. b Ligands exiting the subpocket S1/S1’ at 0.25 nm from the initial binding position (pink), with Asn142 highlighted, and subpocket S2 at 0.33 nm from the initial binding position (green), with Ser46 highlighted