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H bond good match with positive free energy
https://www.dockingserver.com/forum/viewtopic.php?f=5&t=74
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Author:  Mushtaq123 [ Sat Mar 10, 2012 11:58 am ]
Post subject:  H bond good match with positive free energy

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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