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Memory function for protein diffusion.

Published in The Journal of chemical physics • Sep 1, 2025
NobleIDNI3P31W25R38S80
Authors:
Mostajabi Sarhangi S
,
Matyushov DV

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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