|Molecular Docking Server
|H bond good match with positive free energy
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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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