Sharbanoo Ghalehagababaie

[ 1 ] - Molecular dynamics studies on the denaturation of polyalanine in the presence of guanidinium chloride at low concentration

Molecular dynamic simulation is a powerful method that monitors all variations in the atomic level in explicit solvent. By this method we can calculate many chemical and biochemical properties of large scale biological systems. In this work all-atom molecular dynamics simulation of polyalanine (PA) was investigated in the presence of 0.224, 0.448, 0.673, 0.897 and 1.122 M of guanidinium chlorid...