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Figure 2 | BMC Structural Biology

Figure 2

From: DINC: A new AutoDock-based protocol for docking large ligands

Figure 2

Docking example: PDB ID 2ER9. Docking of a large ligand, with 25 rotatable bonds, to aspartic proteinase. The conformation of the ligand from the structure of the complex deposited in the PDB (ID 2ER9) is shown in green color. (A) Top-scoring conformation computed using AutoDock's standard docking protocol, (B) Top-scoring conformation conformation computed using DINC, (C) Top-RMSD conformation computed using AutoDock's standard docking protocol, (D) Top-RMSD conformation computed using DINC.

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