Dear all,
Now I am running MD simulation for multiple ligand-receptor complex (such as 3-4 ligand bind 1 receptor to form one complex) and want to calculate the binding energy. If it is single ligand - single receptor complex, we can use MM-PBSA method. However, I have no idea how to calculate binding energy of several ligand - single receptor complex. It is very appreciated if you can give me some ideas.
Merry Christmas!
Regards,
Ouyang
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Received on Thu Dec 03 2009 - 03:00:03 PST
