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논문 기본 정보

자료유형
학술저널
저자정보
Xueli Xu (School of Science Shandong Jianzhu University) Ao Liu (School of Science Shandong Jianzhu University) Shuangqing Liu (School of Chemistry and Pharmaceutical Engineering Medical Science and Technology Innovation Center Shandong First Medical University & Shandong Academy of Medical Sciences) Yanling Ma (School of Chemistry and Pharmaceutical Engineering Medical Science and Technology Innovation Center Shandong First Medical University & Shandong Academy of Medical Sciences) Xinyu Zhang (School of Chemistry and Pharmaceutical Engineering Medical Science and Technology Innovation Center Shandong First Medical University & Shandong Academy of Medical Sciences) Meng Zhang (School of Chemistry and Pharmaceutical Engineering Medical Science and Technology Innovation Center Shandong First Medical University & Shandong Academy of Medical Sciences) Jinhua Zhao (School of Science Shandong Jianzhu University) Shuo Sun (Department of Biostatistics Harvard T.H. Chan School of Public Health) Xiao Sun (School of Chemistry and Pharmaceutical Engineering Medical Science and Technology Innovation Center Shandong First Medical University & Shandong Academy of Medical Sciences)
저널정보
한국생체재료학회 생체재료학회지 생체재료학회지 제27권
발행연도
2023.3
수록면
1,093 - 1,124 (32page)
DOI
https://doi.org/10.1186/s40824-023-00386-7

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Self-assembled nanomedicine holds great potential in cancer theragnostic. The structures and dynamics of nanomedicine can be affected by a variety of non-covalent interactions, so it is essential to ensure the self-assembly process at atomic level. Molecular dynamics (MD) simulation is a key technology to link microcosm and macroscale. Along with the rapid development of computational power and simulation methods, scientists could simulate the specific process of intermolecular interactions. Thus, some experimental observations could be explained at microscopic level and the nanomedicine synthesis process would have traces to follow. This review not only outlines the concept, basic principle, and the parameter setting of MD simulation, but also highlights the recent progress in MD simulation for self-assembled cancer nanomedicine. In addition, the physicochemical parameters of self-assembly structure and interaction between various assembled molecules under MD simulation are also discussed. Therefore, this review will help advanced and novice researchers to quickly zoom in on fundamental information and gather some thoughtprovoking ideas to advance this subfield of self-assembled cancer nanomedicine.

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