Lipid-based drug delivery systems (LBDDSs) have widely been investigated as potential carriers for targeting water-insoluble molecules. However, the structural integrity, drug localization, and droplet stability are critical factors that need to be considered. Molecular dynamics simulations (MDS) is an in silico technique that provides a useful approach for molecularly simulating the system and provide critical appraisal of various features of LBDDS. MDS is a hybrid technique that provides the key formulations properties before the experimental setup that provides information on stable attributes of a lipid-based formulation. In this review, we have summarized critical information of molecular dynamics, simulation procedure, software utilized, and applications in lipid-based drug delivery field.

中文翻译：

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分子动力学模拟在基于脂质的药物递送系统中的应用。

基于脂质的药物递送系统 (LBDDS) 已被广泛研究作为靶向水不溶性分子的潜在载体。然而，结构完整性、药物定位和液滴稳定性是需要考虑的关键因素。分子动力学模拟 (MDS) 是一种计算机技术，它为分子模拟系统提供了一种有用的方法，并对 LBDDS 的各种特征进行了批判性评估。MDS 是一种混合技术，它在实验设置之前提供关键的配方特性，提供有关基于脂质的配方的稳定属性的信息。在这篇综述中，我们总结了分子动力学、模拟程序、使用的软件和基于脂质的药物递送领域的应用的关键信息。