Molecular simulation study of membrane morphology change induced by proteins

膜形态的改变，如细胞融合和细胞分裂，是由相关蛋白诱导的。本文的研究目的是建立蛋白质-膜复合物的粗粒度模拟模型，并将其应用于膜形态动力学。我们扩展了蛋白质的多盆模型，使用Noguchi模型研究脂类，并提出了排除体积和疏水相互作用的蛋白-脂相互作用项。通过这个新模型，我们成功地模拟了囊泡的形成、囊泡融合、双组分囊泡的相分离以及出芽的机制。

Membrane morphology change, such as cell fusion and cell division, is induced by related proteins. The aim of the research here is to develop a coarse-grained simulation model for protein-membrane complex and to apply it to the membrane morphology dynamics. We extended the multiple-basin model for proteins, used Noguchi model for lipids, and proposed the excluded volume and hydrophobic interaction terms for the protein-lipid interaction. By this new model, we successfully simulated vesicle formation, vesicle fusion, phase separation of 2-components vesicle, and budding addressing their mechanisms.