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

摘要: Atomistic simulations of three different proteins at concentrations are performed to obtain insight into protein mobility as a function concentration. We report on from diluted the physiological water concentration (about 70% mass). First, viscosity was computed and found increase by factor 7–9 going pure highest concentration, in excellent agreement with vivo nuclear magnetic resonance results. At proteins, translational diffusion is be slowed down about 30% vitro values. The slow-down here using atomistic models slightly more than that hard sphere model neglects electrostatic interactions. Interestingly, rotational somewhat (by 80–95% compared values) diffusion, line experimental findings consistent increased viscosit...