Virtual screening and lead molecules

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Virtual screening and lead molecules

Postby Lina_insilico » Mar 26 2015 5:18 am

Hi, I'm doing a tesis job, and I need some help about virtual screening. My whole job is in silico so now I'm trying to look for a molecule that can inhibite a protein kinase, but using type II or type III inhibitors that don't work in the active site but close to it.
So, I need to find a way to do a virtual screening with molecules that match with the two binding site pockets that I've found in the model ".pdb" of the protein.

I don't know how to do it. What steps do I must to follow to do this?
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