[Dock-fans] datdabase screening
yxiong99 at 163.com
Mon Oct 10 22:36:54 PDT 2005
I am a new use for DOCK. I see in the web that we can use DOCK for the following applications:"
search databases of ligands for compounds that inhibit enzyme activity, search databases of ligands for compounds that bind a particular protein."
Now if I dock many small molecules to a protein with DOCk program, I don't know what's the criterion for screening those molecules which can bind a protein or have a high activity.
In DOCK program, which energy score can correspond to binding free energy?
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