AMBER: Complexe Energy Analysis

From: <saccenti.cerm.unifi.it>
Date: Wed, 12 Sep 2007 17:16:07 +0200 (CEST)

Dear all,
I'm facing with a problem that is, mybe a bit too challenging for my skill:

I would like to evaluate the interaction energy (binding free energy) of a
complex of the form P1 + i + P2, where P1 and P2 are proteins and i is a
metal ion. I know there is th PBSA tools to do that in AMBER

Can somebody tell me from where operatively start, maybe pointing out a
tutorial or some clear reference?

I do not belive that a "M.D. for dummies" already exixts....

Many Thanks
Edoardo


-- 
Dr Edoardo Saccenti
CERM Magnetic Resonance Center
University of Florence
Fiorgen Foundation
Via Luigi Sacconi n 6
50019 Sesto Fiorentino
(FI) Italy
Tel: +39 055 4574281
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 16 2007 - 06:07:09 PDT
Custom Search