ADL: Docking a ligand with known general positioning.

Mona N. Rahman rahmanm at post.queensu.ca
Thu Nov 8 10:41:21 PST 2007


To whom it may concern

I am trying to dock a variety of potential inhibitory compounds into the
active site of my enzyme.  They are quite similar so the purpose is to
quantitate binding efficiency in the models by getting values for binding
energy.  Seeing as I have an idea as to how they will bind in the active
site, is there a way to tell the program how to position the ligand i.e.
specific group on one side.

Thank you
Mona Rahman



-- 
Mona N. Rahman, Ph.D.
Post-doctoral Fellow
Botterell Hall, Room 634
Department of Biochemistry
Queen's University
Kingston, ON, K7L 3N6
Tel:  613-533-6392
E-mail:  rahmanm at post.queensu.ca



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