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how to calculate the ddg? #3

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ak422 opened this issue Oct 11, 2024 · 0 comments
Open

how to calculate the ddg? #3

ak422 opened this issue Oct 11, 2024 · 0 comments

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@ak422
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ak422 commented Oct 11, 2024

Hi, I have a question, after I get the 4 files (Indiv_energies_1n8z_AC.fxout, Interaction_1n8z_AC.fxout, Interface_Residues_1n8z_AC.fxout,Summary_1n8z_AC.fxout) of wild-type and mutant, how to calculate the binding affinity changes?
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