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How to know binding pocket of a predicted structure of a protein for VS?

Browse Questions › Category: Questions › How to know binding pocket of a predicted structure of a protein for VS?

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Bioinformatics Review Reader asked 4 years ago

I have predicted a protein structure using SwissModel but I don’t know its binding sites. The structure is not available in PDB. How can I predict binding sites for virtual screening?

Thanks in advance!

Question Tags: binding site, protein structure, virtual screening

1 Answers

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Dr. Muniba Faiza Staff answered 4 years ago

Hi,
You can predict binding sites using the CASTp server and any other prediction server. You can use this predicted site to define a grid box for docking/virtual screening.