Question about FlexPepDock score

This topic has 1 reply, 2 voices, and was last updated 6 years, 3 months ago by Anonymous.

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- July 20, 2018 at 3:39 am #2963
  Anonymous
  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!
- August 1, 2018 at 11:04 pm #14357
  Anonymous
  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
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