Archive for June 2013

Aggregation of Elongated Trp-Cage Proteins

In this article (EuJOC) we present the aggregation propensity of 3 Trp-cage foldamers: E0 (20 aa), E5 (25 aa) and E10 (30 aa) models of different sizes but comparable molecular folding properties. ECD, VCD and FT-IR...

Variation of conformational properties at a glance.

The 2-torus representation of the 2-Ramachandran map shows the correct continuity of the independent variables related to potential energy surfaces. Such a conversion of coordinate system is applied to the fold description of peptide units.


Helix compactness and stability

Structure and stability of the two major secondary structural elements of proteins (helix and sheet) were studied by QM methods for (Ala)n model systems; 6 <n<34 and found that the achiral (Gly)n forms a more compact but less stable helix,...