Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach

Table 3

Summary of the native docking in different software.

PDB	AutoDock Vina; (kcal/mol)	AutoDock 4; (kcal/mol)	Glide (kcal/mol)		Xscore; (kcal/mol)
			SP GlideScore	XP GlideScore
2CM7	−5.80	−12.22	−8.28	−6.09	−9.18
2CMA	−7.00	−12.29	−8.69	−6.29	−9.30
2CMB	−8.00	−12.52	−10.28	−6.82	−9.82
2CNG	−9.30	−11.47	−8.02	−6.09	−9.55
2QBP	−7.50	−13.5	−10.18	−11.49	−9.82
2QBQ	−8.40	−12.13	−8.94	−9.45	−9.64
2ZN7	−8.10	−12.27	−9.77	−9.73	−9.24