1432 水中のシリコン基板近傍におけるリゾチームの分子動力学解析(S38-1 ナノフルイズ,S38 マイクロ・ナノフルイズ)

概要

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In view of the future molecular epitaxy technique using biomolecules, we have conducted molecular dynamics simulation to investigate the diffusion behavior of biomolecule in the vicinity of inorganic substrate. We calculate diffusion coefficients of lysozymne molecule near silicon substrate in water and that in bulk solution. The results indicate drastically diminished values for near-substrate case compared to that of bulk condition, which is attributed to adsorption of the lysozyme molecule on the silicon surface. The result is in good agreement with recently reported experimental results. The adsorption process is accompanied with substantial deformation. The full atomistic description of the system enables elucidation of the underlying phenomena without direct assumption.
一般社団法人日本機械学会の論文
2007-09-07