1Key Laboratory of Molecular Biophysics, Institute of Biophysics, School of Sciences, Hebei University of Technology, Tianjin 300401 2School of Architecture & Art Design, Hebei University of Technology, Tianjin 300401 3School of Electrical and Electronics Engineering, Shijiazhuang Tiedao University, Shijiazhuang 050043
Abstract：To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue $i$ and $i+3/4$ with the same sign of charge destabilizes the alpha helix.
2016, Vol. 33 
