Langevin dynamics simulation of protein dynamics in nanopores at microsecond timescales
M. Muthukumar, J. P. Mahalik, J. Cifello
This paper develops a Langevin dynamics framework to simulate protein dynamics in nanopores, revealing that small changes in nanopore electrostatic potential significantly affect protein dwell time.
bioRxiv · Jun 21, 2021 · PreprintBiophysics