Subject: Zinc potentials

From: Jacek Glowka <[email-masked]>
Date: Mon, 15 Jul 1996 16:56:02 -0700

Hello Netters,
I have a great problem with zinc potentials in ESFF, AMBER and CVFF
forcefields. I must calculate the binding of ligands to receptor
structure of zinc-metaloenzyme.I have full structure of active site,
there are two zinc cations. I use Insight and its modules Discover and
Ludi but they have no any parameters of zinc. I have any correct ideas
for calculate potentials for zinc cations. I am biochemistry student not
computational chemist so perhaps I don't understand all tricky methods,
calculations. Please let me know. If you have any suggestions, comments,
references of my problem please contact me.
Thank you for all your help.
Sincerelly yours,
Jacek

Jacek Glowka 
Dept. of Chemistry
Tech. Uni. of Wroclaw
Poland
e-mail: [email-masked]