Computer Simulation of the Dynamics of Homocysteine Molecules Surrounding a Carbon Nanotube

P. Raczynski; A. Dawid; Z. Dendzik; Z. Gburski

doi:10.4028/www.scientific.net/SSP.140.147

Paper Titles

Nanotechnology for Treating Damaged Organs
p.119

Electrospray Nanocoating of Microfibres
p.127

Nanomaterials in Dental Applications
p.133

The Influence of Graphene Sheet on the Dynamics of Cholesterol Molecules in the Lodgment Located near a Transmembrane Protein – MD Study
p.141

Computer Simulation of the Dynamics of Homocysteine Molecules Surrounding a Carbon Nanotube
p.147

Dielectric Relaxation of a Cholesterol Domain Near a Graphite Wall - A Computer Simulation
p.153

The Mechanical Properties of Nano-TiO₂ Dispersed Al₆₅Cu₂₀Ti₁₅ Amorphous/Nanocrystalline Matrix Bulk Composite Prepared by Mechanical Alloying and High Pressure Sintering
p.161

Enhanced Fatigue Properties of Ultrafine-Grained Titanium Rods Produced Using Severe Plastic Deformation
p.167

Nanostructure Formation in Austenitic Stainless Steel
p.173

HomeSolid State PhenomenaSolid State Phenomena Vol. 140Computer Simulation of the Dynamics of...

Computer Simulation of the Dynamics of Homocysteine Molecules Surrounding a Carbon Nanotube

Abstract:

Excessive amounts of homocysteine in the human body have been considered recently as a factor which increases the risk of developing diseases of the cardiovascular system. The nanosystem composed of homocysteine molecules covering a single walled carbon nanotube have been studied by MD technique. The translational and rotational velocity correlation functions have been calculated for several temperatures, including the physiological temperature of 309 K. The qualitative interpretation of translational and reorientational dynamics of homocysteine molecules in this specific environment is presented.