Figure 1
From: A combined 3D-QSAR and docking studies for the In-silicoprediction of HIV-protease inhibitors
Core structure and dataset alignment. a) Core structure of danuravir derivatives with marked points used for alignment, b) Ligand-based alignment by using most active compound 32 as template, c) Structure-based alignment using cognate ligand of 3QOZ.pdb as reference.