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

Question

76 viewsNovember 23, 2024

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Bioinformatics Review Reader September 7, 2020 0 Comments

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!

User Changed status to publish November 23, 2024

1 Answer

score 0 · Answer 1 · 2020-09-07T06:13:49+00:00

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.