[Dock-fans] Need help!

Äî Áõ yolanda.only at yahoo.com.cn
Thu Feb 28 18:29:37 PST 2008


Dear Dock-fans:
   
  I think I need help.
  Not long ago, I studied the small molecule virtual screening with dock6.Recently, I obtained top 1500(about 50% of total compounds) scored compouds from database.In my docking,I set the grid score and contact score.In the result files,the compounds were sorted by the grid score.
  Now the problem is what should I do next. How do I treat these compouds.
  Should I rescore these 1500 compouds with Amber score? Or I should use some other programs to proceed,I don't know .
  This problem has troubled me for a long time.I 'm expecting any suggestions.
  Any help would be much appreciated.
   
   
  Best regards,
  Yolanda Guo

       
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