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. 2019 Feb 26;9(3):81. doi: 10.3390/biom9030081

Table 1.

Binding energy components of 4.1G-CTD/NuMA obtained from the molecular mechanics Poisson-Boltzmann surface area method (MM-PBSA) calculation using the g_mmpbsa [45] in GROMACS.

Binding Energy Components (kJ/mol)
ΔEvdW −206.2 ± 2.2
ΔEele −1496.4 ± 8.9
ΔGpolar 1653.3 ± 11.9
ΔGnonpolar −36.9 ± 0.2
ΔGbind −86.0 ± 4.7