Fig. 11From: Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main proteaseMaximum dcTMD free energy scores for compounds which display hydrogen bonding with the peptide backbone at residues Gly143 (\(R^2 = 0.69\)) and Cys145 (\(R^2 = 0.85\))Back to article page