The dynamics of cholesterol molecules near the surface of protein farnesyltransferase - computer simulation.
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.
Raczyński
Przemysław
P
Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland. praczyns@us.edu.pl
Gburski
Zygmunt
Z
D002784:Cholesterol / Q000737:chemistry*; D003198:Computer Simulation; D051231:Farnesyltranstransferase / Q000737:chemistry*; D008954:Models, Biological; D008956:Models, Chemical; D013499:Surface Properties; D013696:Temperature; D013997:Time Factors
D002784:Cholesterol; D051231:Farnesyltranstransferase