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Updated: Jul 10, 2026

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
The dynamics of cholesterol molecules near the surface of protein farnesyltransferase - computer simulation
Przemysław Raczyński1, Zygmunt Gburski
1Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland. praczyns@us.edu.pl
Abstract:
We have made the molecular dynamics (MD) simulations for the cluster of cholesterols localized near the protein farnesyltransferase (1FT2) at the physiological temperature T=309.75K. We have observed that the cholesterol molecules form a lodgment on the surface of protein. Several physical characteristics of the deposited cholesterol cluster have been calculated among those: the mean square displacement, diffusion coefficient, linear and angular velocity autocorrelation function and their Fourier transforms.
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