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 = 309.75 K. 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.