ADL: pi-pi bond interaction

Christian Berk chris.berk at web.de
Tue Feb 11 09:44:54 PST 2014


   Dear all,

   I  want  to  dock a substrate into a given crystall structure which is
   presumably held in place via a pi-pi bond interaction. The results I get
   back from AutoDock vina appear not to consider a pi-pi bond interaction but
   rather focus on polar contacts only. Is that correct? Can you recommend a
   way to perform the docking considering a pi-pi bond interaction?

   Kind regards,

   Christian Berk


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