[Dock-fans] datdabase screening

ying xiong yxiong99 at 163.com
Mon Oct 10 22:36:54 PDT 2005


Dear sir,		
   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? 

¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡ying xiong
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡yxiong99 at 163.com
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2005-10-11






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