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 Post subject: H bond good match with positive free energy
PostPosted: Sat Mar 10, 2012 11:58 am 

Joined: Fri Mar 09, 2012 5:47 pm
Posts: 3
I have some ligand binding free energy coming as +30 to +70 Kcal with the receptor. Conventionally, it should be negative. There is a crystal structure available for the same molecule with its receptor. The hydrogen bonds are in the good match but I am really confused that despite of good H bond match why I am not the - free energy value with the ligand protein complex?


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