2 papers
physics.chem-ph2017
The Role of Weak Interactions in Characterizing Peptide Folding Preferences using a QTAIM Interpretation of the Ramachandran Plot (ϕ-ψ)
Roya Momen, Alireza Azizi, Lingling Wang +6
The Ramachandran plot is a potent way to understand structures of biomolecules, however, the original formulation of the Ramachandran plot only considers backbone conformations. We…
cond-mat.mtrl-sci2016
Comparative Density Functional Theory and Density Functional Tight Binding Study of Arginine and Arginine-Rich Cell-Penetrating Peptide TAT Adsorption on Anatase TiO2
Wenxuan Li, Konstantinos Kotsis, Sergei Manzhos
We present a comparative Density Functional Theory (DFT) and Density Functional Tight Binding (DFTB) study of geometries and electronic structures of arginine (Arg), arginine adsor…