What is the best valid and optimized and productive way to identify binding site of a protein and carry out docking on it via Autdock ?

More Omar A. Soliman's questions See All

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What are the potential shell well and atomic solvation parameters for the boron atom?

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Ricardo J Ferreira

Hi,

usually I recommend using fpocket (for pocket site identification and druggability score), followed then by docking.

Ifeoma Felicia Chukwuma

Correct pockets are determined with site directed docking. Check relevant websites to identify the amino acids sequence in the binding site of the protein of interest. Then, highlight the amino acids in auto dock vina, and direct your grid to it.