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How do I compare the results of InterfaceAnalyzer using different trimers as input?

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How do I compare the results of InterfaceAnalyzer using different trimers as input?
#1

Hi,

I hope you are having a nice weekend. I used the InterfaceAnalyzerMover using the interface option to calculate the change in free energy between chain A being bound or unbound to chains B and C. I then also calculated the binding affinity in the same way between chain B and chains A and C, and chain C and chains A and B. Can I take the mean of the three binding affinities I calculated to represent the binding affinity holding the trimer together? Can I compare the mean binding affinity of different trimers to one another using the same scoring function? 

Thank you,

Franz    

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Sun, 2023-08-06 10:10
franz72