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Memory Function for Protein Diffusion

Published in AIP Publishing • Jan 1, 2025
Authors:
Sarhangi, Setare
,
Matyushov, Dmitry

Abstract

Standard algorithms to calculate the diffusion constant from computer simulations are based on either the mean-squared displacement or the velocity autocorrelation function of the tagged particle. They register displacements/velocities caused by random forces, but do not address their physical natur...

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