Hey all! I just have a couple of questions:
01. In FlexPepDock, what does the interface score (I_sc) correspond to? The interface between the receptor and peptide? Or is it something else?
02. Can the interface score be used to evaluate the strength of binding between the receptor and peptide? If not, how can I evaluate the said parameter?
Thank you very much! Cheers!
Category:
Post Situation:
Yes, the interface score should be Rosetta's estimate of the binding energy between the receptor and the peptide (in arbitrary units).
If you haven't already, reading the FlexPepDock papers may (or may not) be illuminative:
https://www.ncbi.nlm.nih.gov/pubmed/28236237
https://www.ncbi.nlm.nih.gov/pubmed/28002624
https://www.ncbi.nlm.nih.gov/pubmed/21572516
https://www.ncbi.nlm.nih.gov/pubmed/20455260