聚乙二醇修饰的树枝状聚合物(Dendrimer)用于药物传递的分子动力学研究.pptVIP

* The PEG tail on the surface is important for encapsulate guest molecules too withPEG Without PEG tail, guest molecule diffuses readily The cavity of the dendrimer core cannot host all of the guest molecules withoutPEG PEG修饰的平行对比 * The distance of each guest molecule to the host dendrimer These guest molecules are stable during 1ns MD and are distributed in different locations of the host molecules. 有PEG修饰 * PEG修饰的平行对比 Without PEG tails, the dendrimer cannot hold 32 BR molecules strongly. BR in dendrimer without PEG D = 0.097 x 10-5 cm2/s BR in “Compact PEG” D = 0.039 x 10-5 cm2/s MSD for