AMBER: usability of mm_pbsa with ligand - membrane protein - complex

From: Frank Boeckler <>
Date: Fri, 29 Aug 2003 00:20:09 +0200

Dear Amber users,

is there a possibility to use mm_pbsa with simulations of small organic ligands in a
membrane protein (lacking an explicit lipid environment) for comparison with the
experimental binding affinity of the ligands?
If anybody has experience with such a problem, all suggestions and
recommendations will be highly appreciated.

Thanks in advance for your time.

Kind regards


Frank Boeckler
Emil Fischer Center
Department of Medicinal Chemistry
Friedrich Alexander University Erlangen-Nuernberg
Schuhstrasse 19
91052 Erlangen

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Thu Aug 28 2003 - 23:53:00 PDT
Custom Search