Table 2. Binding Free Energy and the Energetic Contribution for the Interaction between PTP1B and FYGL-3-P.
system | PTP1B + FYGL-3-Pa |
---|---|
van der Waals free energy (×102 kJ/mol) | –1.2 ± 0.5 |
electrostatic free energy (×102 kJ/mol) | –6.1 ± 2.0 |
SASA free energy (×102 kJ/mol) | –0.18 ± 0.07 |
polar solvation free energy (×102 kJ/mol) | 6.2 ± 2.2 |
total binding free energy (×102 kJ/mol) | –1.2 ± 1.6 |
Data are the mean ± S.E.