Rotational and Translational Diffusion of Proteins as a Function of Concentration.

ABSTRACT: Atomistic simulations of three different proteins at different concentrations are performed to obtain insight into protein mobility as a function of protein concentration. We report on simulations of proteins from diluted to the physiological water concentration (about 70% of the mass). First, the viscosity was computed and found to increase by a factor of 7-9 going from pure water to the highest protein concentration, in excellent agreement with in vivo nuclear magnetic resonance results. At a physiological concentration of proteins, the translational diffusion is found to be slowed down to about 30% of the in vitro values. The slow-down of diffusion found here using atomistic models is slightly more than that of a hard sphere model that neglects the electrostatic interactions. Interestin

SUBMITTER: Bashardanesh Z 

PROVIDER: S-EPMC6906769 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature