AutoDock Vina example

OneAngstrom

Uploaded: July 16, 2019

SAMSON version: 0.8.1

3245

207

AutoDock Vina example

OneAngstrom

Uploaded: July 16, 2019

SAMSON version: 0.8.1

3245

207

The document contains an example of results produced by the free AutoDock Vina SAMSON Element when docking a ligand into the HIV protease (pdb code 2AZ8).

The ligand and side chains in the binding site were considered fully flexible. Exhaustiveness was set to 10. 50 modes were requested.

Results are stored as conformations (SAMSON nodes that store positions - double-click to restore positions) and structures (in the AutoDock Vina modes folder inside the document).

Please refer to this tutorial for more information.

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