Dear AMBER users?
I have read the amber tutorial "small molecules binding to T4 lysozyme" and learned TI method to calculating the energy difference between benzene and phenol binding to T4. I am considering whether the same method can be used to calculate binding free energy of a peptide and a protein. If it can, should I make a certain mutation to the peptide, as done in the tutorial, mutating benzene to phenol? Dose anyone has a more relevent tutorial to complete my task? Thanks in advance.
Yeping Sun
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Received on Sat Jul 27 2013 - 09:30:03 PDT
