1clickdocking
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1clickdocking [2013/10/10 15:53] – flack | 1clickdocking [2024/04/09 09:55] (current) – rkiss | ||
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- | ====== 1-Click Docking | + | ====== 1-CLICK DOCKING |
// | // | ||
**[[http:// | **[[http:// | ||
- | {{: | + | {{: |
Docking predicts the binding orientation and affinity of a ligand to a target. [[https:// | Docking predicts the binding orientation and affinity of a ligand to a target. [[https:// | ||
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===== Results ===== | ===== Results ===== | ||
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The best binding poses are listed together with their docking scores. More negative values indicate higher binding affinity. Binding poses can be displayed (" | The best binding poses are listed together with their docking scores. More negative values indicate higher binding affinity. Binding poses can be displayed (" | ||
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**3. Conversion of ligand 2D MOL to 3D MOL** | **3. Conversion of ligand 2D MOL to 3D MOL** | ||
- | Conversion is carried out by [[http:// | + | Conversion is carried out by [[http:// |
**4. Conversion of ligand 3D MOL to PDBQT** | **4. Conversion of ligand 3D MOL to PDBQT** |
1clickdocking.1381420429.txt.gz · Last modified: 2013/10/10 15:53 by flack