estimation of binding constants

From: Christian Pilger <cpilger -8 at 8- oc30.uni-paderborn.de>
Subject: estimation of binding constants
Date: Mon, 1 Mar 1999 17:19:20 +0100

 Dear CCL'ers,
 	I did some docking on an enzyme/ligand complex. Now I have the
 problem of scoring the results i.e. prediction the binding constants for
 different enzyme-ligand alignments. I'd like to receive some information
 on this topic (molecular mechanics vs. quantum mechanics vs. empirical
 scoring schmemes...).
 Regards,
 Christian
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  Dipl.-Chem. Christian Pilger          Uni-GH Paderborn
                                        FB 13 - Organische Chemie
                                        Warburger Str. 100
                                        D-33098 Paderborn/Germany
  Tel.: 05251-60279/-602183
  Fax : 05251-603245         email: cpilger -8 at 8- oc30.uni-paderborn.de
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