Let's say I have an array of receptors. Given a peptide, can protein-peptide docking be used in predicting the peptide's target among the receptors? If so, how? If not, why? Can you recommend me some good literature?
In that case, I think we can docking separately for each receptor and compare the binding capacity of the peptide and find most possible target for it.
don't expect relevant results, peptides are very flexyble and adattable, the docking program will surely find an high docking value for each receptor. It depends much of the peptide size and grid on the receptor.
I wanted to compare the high-throughput docking results with known experimental binding values. I wanted to know if docking can be used to theoretically replicate the said experimental values.
Your idea is very interesting in that concept that you can not only evaluate the similarity of high-throughput docking results with known experimental binding values but also the qualitative work of the calculation algorithm there. I wish good luck!