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usecaseligbased [2013/10/09 20:12] – [Ligand-based virtual screening] rkissusecaseligbased [2013/10/11 08:39] rkiss
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-====== Ligand-based virtual screening ======+====== LIGAND-BASED VIRTUAL SCREENING ======
  
 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).
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 6. You can also add new workflow steps by clicking on the **"ADD WORKFLOW STEP"** button on the right at the end of the workflow. Detailed description of the available workflow steps can be found **[[tools|HERE]]**. 6. You can also add new workflow steps by clicking on the **"ADD WORKFLOW STEP"** button on the right at the end of the workflow. Detailed description of the available workflow steps can be found **[[tools|HERE]]**.
  
-7. After finalizing your workflow, you can set the **"Name"** and **"Description"** of the output collection and the **"Maximum hits"**. If you don't want to limit the number of hits in the output, you can delete the number from this field. Note that the maximum number of molecules in a single collection is limited and it depends on your **[[http://mcule.com/pricing|Price Plan]]**..+7. After finalizing your workflow, you can set the **"Name"** and **"Description"** of the output collection and the **"Maximum hits"**. If you don't want to limit the number of hits in the output, you can delete the number from this field. Note that the maximum number of molecules in a single collection is limited and it depends on your **[[https://mcule.com/pricing/|Price Plan]]**..
  
 8. Click on **"RUN"** 8. Click on **"RUN"**
usecaseligbased.txt · Last modified: 2014/01/01 15:50 by flack