On the Molecular Modeling Analyses of Novel HIV-1 Protease Inhibitors Based on Modified Chitosan Dimer

Table 4

The total energy, docking score, and the number of hydrogen bonds between the ligand and protein of docking (interaction) systems via MM3 force field method.

Structure; (position)	Total energy; (Kcal/mol)	Docking; score	Number of H bonds
2	60.06	2786.48	8
3	−45.61	2708.13	3
2′	−123.57	1638.50	4
3′	13.73	9433.26	5