Compound | E binding , kcal/mol | E van der Waals + E Hydrogen bond + E Desolvation Energy , kcal/mol | E Electrostatic Energy , kcal/mol | E Torsional Free , kcal/mol |
---|---|---|---|---|
pNP-GlcNAc 2 | −9.47 | −11.59 | −0.30 | 2.40 |
pNP-GlcNAc-uronate 5 | −7.21 | −11.55 | 1.79 | 2.55 |
pNP-GlcNAc-sulfate 6 | −7.08 | −10.58 | 0.82 | 2.68 |