Table 4.

XP docking results of top 13 FDA-approved candidates with NK1R

^aChemScore lipophilic pair term and fraction of the total protein ligand vdW energy

^bHydrophobic enclosure reward

^cChemScore H-bond pair term

^dElectrostatic rewards

^eSiteMap ligand/receptor non H-bonding polar/hydrophobic and hydrophilic/hydrophobic complementary terms

^fRotatable bond penalty

^gEpikState Penalty