• Title of article

    Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface

  • Author/Authors

    Jلkli، نويسنده , , Imre and Knak Jensen، نويسنده , , Svend J. and Csizmadia، نويسنده , , Imre G. and Perczel، نويسنده , , Andrلs، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2012
  • Pages
    7
  • From page
    82
  • To page
    88
  • Abstract
    The periodicity of n dihedral angles of a molecular system inspires its description in an n-toroidial space, rather than in an equivalent n-Cartesian space. Thus, the 2-torus representation of the 2-Ramachandran map shows the correct continuity of both of the independent variables (e.g., φ, ψ) related to its backbone potential energy surface (PES). Such a conversion of coordinate system is applied to the fold description of a typical peptide unit. In a 2-torus mode of representation any point of the PES becomes embedded in its true surrounding, no edges tumble the true topographic nature of the system.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2012
  • Journal title
    Chemical Physics Letters
  • Record number

    1933701