Paper Citing NAMD - Abstract
Cheng, Chang-Li; Zhang, Ming-Zhen; Zhao, Guang-Jiu
Mechanical stability and thermal conductivity of beta-barrel in green fluorescent protein by steered molecular dynamics
RSC ADVANCES, 4:6513-6516, 2014
Green fluorescent protein (GFP) is used as a biosensor for protein-protein interactions, co-translational folding and localization of different structures in cells, in which the mechanical stability and thermal conductivity of the beta-barrels play a vital role. In this work, we first explore themechanical and thermal properties of beta-barrels in GFP by using the molecular dynamics simulations. Our results show that the beta-barrel is destabilized once one strand is detached. Moreover, we also observe that the temperature relaxation processes of an unfolded state and the native state are nearly the same. Our dynamics simulations improve the understanding of mechanical stability of beta-barrels and help to find nanoscale mechanism controlling energy transport in biomolecules.
