(c) Individual local-energy-decomposition (LED; see computational methods section) contributions exhibit well-defined intermolecular distance dependence; they therefore incorporate some dynamic information on NCIs taking place in the active site. (indeed, the latter NCIs result, inter alia, from the ligand's electronic properties; thus, they may also reflect additional, potential PL NCIs -taking place before active site binding.) (d) For quality-control purposes, calculated quantities should not implicitly include information from molecular structures or events that are (even slightly) orthogonal to active-site binding. (interaction energies, which employ optimized structures for each of the interacting monomers in vacuum, do include such implicit information -as opposed to the inter-fragment binding energies used below.)