Aim

Development of Virtual Assay Database

Background:

Virtual Screening has become a very important step in Computational Drug discovery process. It involves screening thousands of compounds against a target to find probable hits for the drug discovery.  OSDD consortia have identified several targets for TB . The ligands identified are screened for the binding specificity through molecular docking process. The results that one obtains after docking depends on the Docking  technique, Docking software and other technical parameters used during this virtual assay. Therefore, the accuracy of the docking process is questionable at a times as the same parameters may not be reproducible. As a result of this problem, it becomes  necessary to curate the docking results by carrying out the experiments and to keep the data of virtual assay in a centralised database

 

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