Table 2.

MMPBSA binding energy for the protein–drug complexes from the last 10 ns of the simulation.

Name of the Protein/PDB ID	vdW	Electro	Polar S	SASA	WCA	BE
1ad6/RB1	−122.089	4.856	51.879	−13.668	67.669	−11.353
1ni2/ezrin	−88.838	−17.231	46.024	−10.412	53.422	−17.034
1q7l/aminoacyclase 1	−136.432	−16.718	65.543	−12.560	0.00	−100.169
1w98/cyclin E1	−101.134	5.898	51.369	−11.193	59.079	4.020
5lk5/Calreticulin	−72.960	−22.837	34.162	−8.369	61.288	−8.7171