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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry