Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase
Fig 11
Ligand efficiency for several favorable binding sites on Nsp5 Mpro and Nsp13 helicase from computational fragment screening.
Data is shown for ΔGbind (A) and ligand efficiency (B) comparing numerous sites using the FRAG100 library as a benchmark. Ligand efficiency data is also shown as a function of fragment molecular weight (C) and calculated LogP (D).