We present a review of recent results on the adhesion, wrapping and aggregation of spherical nanoparticles (NPs) on lipid membranes via molecular dynamics simulations of an implicit solvent model. We show that the degree of wrapping of small NPs, by tensionless planar membranes, can increase continuously with the adhesion strength. However, the degree of wrapping exhibits a discontinuity for large NPs or short interaction range. The adhesion of NPs to small vesicles, without volume constraint, also exhibits a discontinuity between weakly wrapped states and fully endocytosed states. Multiple spherical NPs, bound to tensionless planar membranes are either in a gas state, at weak adhesion strength, or aggregate, at relatively high adhesion strength, into a multitude of structures, corresponding to in-plane chains, out-of-plane tubes and rings, and out-of-plane single-chain tubes. Annealing scans and free energy calculations show that the gas and tube phases are the predominantly stable phases. In-plane chains are only stable for small aggregates and the out-of-plane bitubes are long-lived metastable states.

我们通过隐式溶剂模型的分子动力学模拟，回顾了最近关于球形纳米粒子 (NP) 在脂质膜上的粘附、包裹和聚集的结果。我们表明，无张力平面膜对小 NP 的包裹程度可以随着粘附强度的增加而不断增加。然而，对于大的 NPs 或短的相互作用范围，包裹程度表现出不连续性。NPs 对小囊泡的粘附，没有体积限制，在弱包裹状态和完全内吞状态之间也表现出不连续性。与无张力平面膜结合的多个球形 NP 要么处于气态，粘附强度较弱，要么聚集在一起，粘附强度相对较高，形成多种结构，对应于面内链、面外管和戒指，和平面外单链管。退火扫描和自由能计算表明，气相和管相是主要的稳定相。面内链仅对小聚集体稳定，面外沥青管是长寿命的亚稳态。