An Orientationally Averaged Version of the Rotne-Prager-Yamakawa Tensor Provides A Fast But Still Accurate Treatment Of Hydrodynamic Interactions In Brownian Dynamics Simulations Of Biological Macromolecules
This paper evaluates an orientationally averaged version of the Rotne-Prager-Yamakawa tensor for accelerating hydrodynamic interactions in Brownian dynamics simulations of biological macromolecules, showing high accuracy for translational diffusion but underestimation of rotational diffusion.
bioRxiv · Apr 21, 2023Biophysics