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Advanced Biomaterials and Devices in Medicine
June 2015, Volume 2, Issue 1, pp 44–53
A Review of computer simulation studies of cell membrane interaction with neutral and charged nano-objects. Quasi-zero-dimensional nanoparticles, drugs and fullerenes
A.A. Tsukanov1*, S.G. Psakhie 1,2,3
1 Skolkovo Institute of Science and Technologies, Moscow, 143026 Russia
2 Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, Tomsk, 634055 Russia
3 National Research Tomsk Polytechnic University, Tomsk, 634050 Russia
* Corresponding author: Aleksey A. Tsukanov, e-mail: a.tsukanov@skoltech.ru
Abstract
The present paper is an overview of molecular dynamics simulation studies related to the interaction of neutral and charged nano-objects with cell membranes. This research area is of great interest because of possible biomedical applications of nanoparticles and since now computer simulation techniques provide a detailed picture of structure and dynamics of membranes. An attempt is made to “systematize” the results of currently available numerical studies, combining nano-objects into six groups according to their general characteristics, for example, size, shape, fractal dimension, composition. A number of possible mechanisms of the nano-objects impact on the lipid bilayer structure and properties are revealed and discussed.
Keywords: molecular dynamics, cell membrane, lipids, nano-object, charged nanoparticle, computer simulation
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