Binana output

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    • May 26, 2020 at 7:32 pm #13576
      Ricardo Henrandez
      Guest

      To whom may concern,

      I hope this email finds you doing well. I have two questions.

      1) what does the active site flexibility output mean=

      2) The summed electrostatic interaction. What is the difference between having a ligand whose sum is a positive and a ligand whose overall is negative (for the same protein)?

      Thank you,

      Ricardo

    • June 20, 2020 at 9:14 pm #13775
      Jacob Durrant
      Keymaster

      Hi Ricardo. Much thanks for your interest in BINANA, and please forgive my delay in responding. You can learn more about flexibility in the original BINANA paper: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099006/#S6title

      The same paper also describes the electrostatic interactions: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099006/#S5title

      Take care,

      Jacob

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