Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach
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- 作者：Amir Shamloo ; shamloo@sharif.edu" class="auth_mail" title="E-mail the corresponding author ; Maysam Z. Pedram ; Hossein Heidari ; Aria Alasty ; aalasti@sharif.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Magnetic nanoparticle ; Forced steering ; System dynamics identification ; Discrete medium ; Continuous medium
- 刊名：Journal of Magnetism and Magnetic Materials
- 出版年：2016
- 出版时间：15 July 2016
- 年：2016
- 卷：410
- 期：Complete
- 页码：187-197
- 全文大小：2894 K
文摘
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Molecular dynamics simulation of crossing nano-particles through the BBB membrane at different velocities.
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Recording the position of nano-particle and the membrane-NP interaction force profile.
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Identification of a frequency domain model for the membrane.
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Calculating the diffusion coefficient based on MD simulation and identified model.
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Obtaining a relation between continuum medium and discrete medium.