Table 1: Docking of Oseltamivir, Beta-Sialic acid, and O-Sialic acid from XP method.

Sl. no.LigandsGScoreLipophilicH-bondElectrostaticLow MW

2B-Sialic acid–9.74–0.92–6.77–2.00–0.47
3O-Sialic acid–8.65–0.93–5.73–2.00–0.47

Lipophilic: ChemScore lipophilic pair term and fraction of a protein-ligand vdW energy.
Hbond: ChemScore H-bond pair term.
Electrostatic: electrostatic rewards.
Low MW: Rewards for ligand with low molecular weight.