Subject: RE: A request for help on molecular modeling simulations.

From: "Erickson, Jon" <[email-masked]>
Date: Wed, 16 Jul 1997 11:50:58 -0500

Gina,

>----------
>From: 	Gina Barbeau[SMTP:[email-masked]]
>Sent: 	Wednesday, July 16, 1997 10:43 AM
>To: 	[email-masked]
>Subject: 	CCL:A request for help on molecular modeling simulations.
>

There is an excellent paper by Ajay and Mark Murcko that discusses
computational binding energies that may answer some of your general
questions. 

See: J. Med. Chem., 1995, 38, 4953.

Jon Erickson
DowElanco CAMD