Subject: Software selection

From: "Jerry L. Born" <[email-masked]>
Date: Wed, 08 Dec 1999 13:47:10 -0700

Dear All

I am interested in modeling the interaction of hematin with drug 
molecules.  I have attempted this work with several packages but without 
"success".  The theory states that antimalarial agents bind via pi/pi 
bonding and the interaction of a charged ammonium with the carboxyl side 
chains of hematin, sort of like an open faced sandwich.  Please suggest a 
modeling package for PC or SGI that might produce useable information.

thanks

jlb
Jerry L. Born, Ph.D.				Voice 505-272-3657
Professor of Pharmacy
(Med. Chem./Toxicology)
The University of New Mexico			FAX 505-272-6749
College of Pharmacy	
2502 Marble NE
Albuquerque, NM 87131