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
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
Journal title :
Chemical Physics Letters