Molecular dynamics (MD) in homocysteine nanosystems – computer simulation

Excessive of homocysteine in the human body is recently considered as a factor increasing the risk of the cardiovascular system diseases. The nanosystem composed of finite number of homocysteine molecules (n = 20, 50 and 80) have been studied by MD technique. Several physical quantities of homocysteine nanosystem have been calculated as a function of temperature and a number of molecules in homocysteine cluster. The total dipole moment autocorrelation function and dielectric loss of the cluster have been also obtained.