Figure 3

Docking example: PDB ID 1NDZ. Docking of a large ligand, with 10 rotatable bonds, to adenosine deaminase. The conformation of the ligand from the structure of the complex deposited in the PDB (ID 1NDZ) is shown in green color. (A) Top-scoring conformation computed using AutoDock's standard docking protocol, (B) Top-scoring conformation computed using DINC, (C) Structure deposited in the PDB with the protein shown in stick representation (D) Structure deposited in the PDB with the protein shown in surface representation.