hitidentification
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hitidentification [2014/01/01 15:24] – [STRUCTURE-BASED VIRTUAL SCREEN] flack | hitidentification [2014/01/01 15:25] – [CUSTOM WORKFLOW] flack | ||
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Ligand-based virtual screening does not utilize the 3D structure of the target when searching for new hits. Instead, it is based on the structure of a reference ligand (endogenous ligand, known inhibitor, etc.) that binds to a target and/or exhibits some beneficial effect. In ligand-based virtual screening, compounds are typically ranked based on the similarity to the reference ligand (query). | Ligand-based virtual screening does not utilize the 3D structure of the target when searching for new hits. Instead, it is based on the structure of a reference ligand (endogenous ligand, known inhibitor, etc.) that binds to a target and/or exhibits some beneficial effect. In ligand-based virtual screening, compounds are typically ranked based on the similarity to the reference ligand (query). | ||
- | **[[usecaseligbased|Ligand-based virtual screening tutorial | + | **[[usecaseligbased|Ligand-based virtual screening tutorial |
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- | **[[tools|List of available workflow steps >>]]** | + | |
+ | **[[tools|List of available workflow steps »]]** | ||
===== DIVERSE LIBRARY SELECTION ===== | ===== DIVERSE LIBRARY SELECTION ===== | ||
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**[[tools|List of available workflow steps >> | **[[tools|List of available workflow steps >> | ||
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===== CUSTOM WORKFLOW ===== | ===== CUSTOM WORKFLOW ===== | ||
You can also build your own workflows for virtual screening, library design or other purposes by putting together molecular modeling tools like LEGO bricks in the **[[https:// | You can also build your own workflows for virtual screening, library design or other purposes by putting together molecular modeling tools like LEGO bricks in the **[[https:// | ||
- | **[[screen|Learn more about the Workflow Builder | + | **[[screen|Learn more about the Workflow Builder |
- | **[[tools|List of available workflow steps >>]]** | + | **[[tools|List of available workflow steps »]]** |
hitidentification.txt · Last modified: 2014/02/26 13:22 by rkiss