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
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Frank Boeckler
Emil Fischer Center
Department of Medicinal Chemistry
Friedrich Alexander University Erlangen-Nuernberg
Schuhstrasse 19
91052 Erlangen
+49-9131-85-24115
boeckler.pharmazie.uni-erlangen.de
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Received on Thu Aug 28 2003 - 23:53:00 PDT
