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.
Raczyński
Przemysław
P
Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland. praczyns@us.edu.pl
Dawid
Aleksander
A
Gburski
Zygmunt
Z
D003198:Computer Simulation; D006710:Homocysteine / Q000737:chemistry*; D008956:Models, Chemical; D049329:Nanostructures / Q000737:chemistry*; D013499:Surface Properties; D013696:Temperature; D013997:Time Factors
D006710:Homocysteine