docking_vina
Differences
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| docking_vina [2012/05/29 19:27] – [Molecular Docking] rkiss | docking_vina [2012/07/29 08:57] – rkiss | ||
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| === Docking (Vina) filter of mcule === | === Docking (Vina) filter of mcule === | ||
| - | Docking tool: AutoDock | + | Docking tool: [[http:// |
| In the mcule Docking (Vina) filter you can: | In the mcule Docking (Vina) filter you can: | ||
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| === Analysis of the docking results === | === Analysis of the docking results === | ||
| - | The output of the Docking (Vina) filter is a collection of conformers. It includes the generated binding poses of the successfully docked molecules. Docking score is displayed in both list and table views by default. The docking score of AutoDock | + | The output of the Docking (Vina) filter is a collection of conformers. It includes the generated binding poses of the successfully docked molecules. Docking score is displayed in both list and table views by default. The docking score of Vina is a (very rough) estimation of the binding affinity. More negative docking scores suggesting higher affinity. |
| === Example input file for Docking (Vina) === | === Example input file for Docking (Vina) === | ||