Table 4 The relative binding-free energies (kcal/mol) obtained by Prime MM–GBSA, where MMGBSA dG Bind = Complex − Receptor – Ligand and MMGBSA dG Bind(NS) = Complex − Receptor(from optimized complex) − Ligand(from optimized complex) = MMGBSA dG Bind − Receptor Strain − Ligand Strain. NS in the table is no strain; it is the binding energy without considering for the receptor and ligand conformational changes needed for the formation of complex

From: In silico molecular docking studies and MM/GBSA analysis of coumarin-carbonodithioate hybrid derivatives divulge the anticancer potential against breast cancer