H bond energy calculation

User f1f97926a0

01-07-2015 07:11:59


I wish to know how to calculate the bond enegy between a Hydrogen Bond donor present in a receptor protein and a Hydrogen bond acceptor present in a drug molecule and vice versa. Can anyone help me as to how to do it.



ChemAxon d51151248d

01-07-2015 12:09:07


We can't calculate the H bond energy between donor and acceptor atoms unfortunately. 

Best regards,