AMBER Archive (2005)

Subject: RE: AMBER: does the result of H bond is consistent with the ?Eele of MM_PBSA?

From: Yong Duan (duan_at_ucdavis.edu)
Date: Fri Dec 23 2005 - 00:43:53 CST

 
> Is there any another factors influence the results? Thank you !
 
Yes. Water! They can form (very) good h-bonds with the solute. So, just
counting # of h-bonds does not necessarily give you accurate estimate of
binding free energies.
 
yong

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