纳米技术
核酸
纳米材料
计算机科学
生物相容性材料
材料科学
系统工程
生化工程
工程类
化学
生物化学
生物医学工程
作者
Markéta Paloncýová,Martin Pykal,Petra Kührová,Pavel Banáš,Jiřı́ Šponer,Michal Otyepka
出处
期刊:Small
[Wiley]
日期:2022-10-10
卷期号:18 (49)
被引量:4
标识
DOI:10.1002/smll.202204408
摘要
Utilization of nucleic acids (NAs) in nanotechnologies and nanotechnology-related applications is a growing field with broad application potential, ranging from biosensing up to targeted cell delivery. Computer simulations are useful techniques that can aid design and speed up development in this field. This review focuses on computer simulations of hybrid nanomaterials composed of NAs and other components. Current state-of-the-art molecular dynamics simulations, empirical force fields (FFs), and coarse-grained approaches for the description of deoxyribonucleic acid and ribonucleic acid are critically discussed. Challenges in combining biomacromolecular and nanomaterial FFs are emphasized. Recent applications of simulations for modeling NAs and their interactions with nano- and biomaterials are overviewed in the fields of sensing applications, targeted delivery, and NA templated materials. Future perspectives of development are also highlighted.
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