1clickdocking
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
1clickdocking [2013/10/09 13:40] – [Docking protocol] sanmark | 1clickdocking [2024/04/09 09:55] (current) – rkiss | ||
---|---|---|---|
Line 1: | Line 1: | ||
- | ====== 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:// |
===== When to use ===== | ===== When to use ===== | ||
- | When you are looking for the binding mode or docking score of a particular ligand, [[https:// | + | When you are looking for the binding mode or docking score of a particular ligand, [[https:// |
===== How to use ===== | ===== How to use ===== | ||
- | [[https:// | + | [[https:// |
===== Results ===== | ===== Results ===== | ||
- | {{: | + | {{: |
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 (" | ||
Line 40: | Line 40: | ||
**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.1381326013.txt.gz · Last modified: 2013/10/09 13:40 by sanmark