AllosMod documentation

AllosMod is a protocol to set up and run simulations based on a modeled energy landscape that you create. Carefully designed energy landscapes allow efficient molecular dynamics sampling at constant temperatures, thereby providing ergodic sampling of conformational space. Use AllosMod to:

  • Model energy landscapes for protein, DNA, RNA, and/or sugar with either known or modeled structures
  • Sample your energy landscapes to predict often and/or rarely populated conformations
  • Model energy landscapes for ligand-induced structural and/or dynamic changes, i.e. allostery
  • Model energy landscapes for glycosylated proteins


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