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Calculate Free binding energy without schrodingers suite #1311

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FlorianSchustek3T opened this issue Feb 28, 2024 · 0 comments
Open

Calculate Free binding energy without schrodingers suite #1311

FlorianSchustek3T opened this issue Feb 28, 2024 · 0 comments

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@FlorianSchustek3T
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Hello, I don't know if this is the proper place to ask this question but I am trying to calculate the free binding energy between an antibody and a pMHC complex (my ligand), and I currently don't have access to schrodingers suite to calculate the most likely protonation states. Is there an alternative way to run the analysis that would not require this (non free) tool ?
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@FlorianSchustek3T