SOFT MATTER : MESOSCOPIC SIMULATIONS OF MEMBRANES , VESICLES AND NANOPARTICLES
SOFT MATTER : MESOSCOPIC SIMULATIONS OF MEMBRANES , VESICLES AND NANOPARTICLES
复制标题
软物质：膜、囊泡和纳米粒子的介观模拟
DOI：
--
复制
发表时间：
2007
期刊：
影响因子：
--
通讯作者：
J. Shillcock
中科院分区：
文献类型：
--
作者：
J. Shillcock
生物膜的特性和行为是由其组分的分子特性在许多尺度上的传播而产生的。人工智能材料，如药物输送载体和纳米颗粒，通常依赖于修饰天然存在的软物质，如聚合物和脂质囊泡，从而使它们具有有用的行为。介观模拟使得在复杂的软质材料上进行硅实验变得容易和廉价，只需要在粗粒度水平上输入成分的分子结构。因此，在进行昂贵的分析之前，它们可以作为实验人员的指南。此外，介观模拟提供了目前唯一可行的与重要生物物理过程（如囊泡融合）相关的长度和时间尺度的窗口。本文描述了利用耗散粒子动力学模拟来探索两亲膜的结构和行为、囊泡的融合以及刚性纳米颗粒与软表面之间的相互作用的最新工作。
Biological membranes have properties and behavior that emerge from the propagation of the molecular characteristics of their components across many scales. Artificial smart materials, such as drug delivery vehicles and nanoparticles, often rely on modifying naturally-occurring soft matter, such as polymers and lipid vesicles, so that they possess useful behavior. Mesoscopic simulations allow in silico experiments to be easily and cheaply performed on complex, soft materials requiring as input only the molecular structure of the constituents at a coarse-grained level. They can therefore act as a guide to experimenters prior to performing costly assays. Additionally, mesoscopic simulations provide the only currently feasible window on the length and time scales relevant to important biophysical processes such as vesicle fusion. We describe here recent work using Dissipative Particle Dynamics simulations to explore the structure and behavior of amphiphilic membranes, the fusion of vesicles, and the interactions between rigid nanoparticles and soft surfaces.