ADL: "Broken" Ligand

Catherine Hayes Catherine.Hayes at nuigalway.ie
Thu Sep 9 11:02:49 PDT 2004


Dear All

I have used AutoDock to dock a ligand into a protein, but the conformations 
that AutoDock presents me with, are all "disjointed". In some cases the ligand 
has been broken into two pieces, in others into three. I have docked other 
ligands into this particular protein, and nothing like this has happened 
before. Can anyone suggest what may be happening?
Thanks
Catherine.

Catherine Hayes BSc MSc
Protein Crystallography Group
National University of Ireland Galway




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