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hitidentification [2014/01/01 15:25] – [DIVERSE LIBRARY SELECTION] flackhitidentification [2014/01/01 15:33] – flack
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 ====== HIT IDENTIFICATION ====== ====== HIT IDENTIFICATION ======
  
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 You can identify new inhibitors/modulators of your target (receptor, enzyme, nucleid acid, etc.) by searching the **[[mculedb|Mcule database]]**. In Mcule, you can easily build [[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]] workflows by putting together molecular modeling tools like LEGO bricks. Virtual screening workflows are a set of filters and calculations. Filters can eliminate compounds that unlikely bind your target or have other unwanted properties and calculations can rank order the best candidates for example by their estimated binding affinity. You can filter the whole Mcule database (over 5 million compounds) with several tools until you select the most promising compounds (10-1000). You can order the best hits by just a few clicks. You can identify new inhibitors/modulators of your target (receptor, enzyme, nucleid acid, etc.) by searching the **[[mculedb|Mcule database]]**. In Mcule, you can easily build [[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]] workflows by putting together molecular modeling tools like LEGO bricks. Virtual screening workflows are a set of filters and calculations. Filters can eliminate compounds that unlikely bind your target or have other unwanted properties and calculations can rank order the best candidates for example by their estimated binding affinity. You can filter the whole Mcule database (over 5 million compounds) with several tools until you select the most promising compounds (10-1000). You can order the best hits by just a few clicks.
hitidentification.txt · Last modified: 2014/02/26 13:22 by rkiss