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Table 5 Re-docking and docking results of wild type and mutated with most active and least active compounds

From: A combined 3D-QSAR and docking studies for the In-silicoprediction of HIV-protease inhibitors

PDB ID Resolution Type RMSD
3EKV 1.75 Wild 1.36
3NU9 1.85 Mutated 1.22
Docking of most and least potent compounds
Docked Comp. PDB ID Gold-Score Chem-Score
32 (Highly active) 3EKV 81.63 23.86
3NU9 72.54 22.2
46 (Least active) 3EKV 78.11 14.82
3NU9 55.68 14.1