Subject: Pi stacking energies

From: "Dr. Dave Winkler" <[email-masked]>
Date: Thu, 24 Jul 1997 09:54:30 +1000

Hi, Netters,

Can anyone give me an estimate of the contribution to ligand binding energy
which may result from an optimum pi-stacking interaction in the active
site?  I have a tyrosine forming the base of a site and good ligands
contain aromatic rings which lie ~3.5 A above the aromatic ring of tyrosine.

Cheers,

Dave

Dr. David A. Winkler                    Email: [email-masked]
Senior Principal Research Scientist     Voice: 61-3-9545-2477
CSIRO Division of Molecular Science	Fax:   61-3-9545-2446
Private Bag 10,Clayton South MDC,       http://www.csiro.au
Clayton 3169, Australia 	        http://www.molsci.csiro.au