Molecular dynamics (MD) studies are presented for the ensembles of homocysteine molecules surrounded single walled carbon nanotube. We have investigated several dynamical observables of homocysteine at the physiological temperature T = 309 K: radial distribution function, mean square displacement, diffusion coefficient, translational velocity correlation function, … etc. We also calculate the total dipole moment autocorrelation function of homocysteine molecules and dielectric loss of both samples.

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