The dendrimer has a high degree of geometric symmetry, a precise and controllable molecular size, a large number of surface-active functional groups, a rich cavity inside the molecule, and a controlled molecular chain growth. The unique structural properties of the above-mentioned macromolecules have made it a research hot spot in many fields. Molecular simulation technology, as a new scientific research method, plays an important role in the basic theory and applied research of dendrimers. This paper reviews the basic progress of molecular simulation technology in the field of dendrimers in recent years, including the application of dendrimers in medicine, DNA, pharmaceutical carriers, proteins, amino acids, and so on.

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PAMAM 树枝状大分子及其潜在应用：理论研究的最新进展

树枝状聚合物具有高度的几何对称性、精确可控的分子尺寸、大量的表面活性官能团、分子内部丰富的空腔、可控的分子链生长。上述大分子独特的结构性质使其成为许多领域的研究热点。分子模拟技术作为一种新兴的科学研究方法，在树枝状大分子的基础理论和应用研究中发挥着重要作用。本文综述了近年来分子模拟技术在树枝状大分子领域的基本进展，包括树枝状大分子在医学、DNA、药物载体、蛋白质、氨基酸等方面的应用。