Computational model of hole transport in DNA

Article Abstract:

A computational model based on the molecular dynamics (MD) simulation for the hole transport in DNA was developed and applied to study hole current in DNA strands consisting of different numbers of GC pairs. The calculations show that the hole hopping intensified with the temperature and the transport rate increases in agreement with the experimental evidence.

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Modeling tubulin at interfaces. Immobilization of microtubules on self-assembled monolayers

Article Abstract:

A theoretical study of protein docking self-assembled monolayers using a new approach is presented. The new method of theoretical docking may be used as a fast and reliable tool complementing other theoretical and experimental techniques of exploring other-protein-surface interfaces.

Proteins, Microtubules, Tubulins, Tubulin

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A molecular dynamics calculations of hole transfer rates in DNA strands

Article Abstract:

A computational model that considers both tunneling and thermal hopping mechanisms, which could be applied in the theoretical study of the charge transfer in natural and artificial DNA strands, is presented.

Analysis, Thermal analysis

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