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, 80) have been studied by MD technique. We have also performed MD simulations with boundary conditions for macroscopic (bulk) sample of homocysteine molecules, as a reference. The specific physical properties of homocysteine nanosystem have been calculated and compared with their counterparts of bulk sample.

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