Computer Aided Development of Nucleic Acid Applications in Nanotechnologies. Issue 49 (10th October 2022)

• Record Type: Journal Article
• Authors: Paloncýová, Markéta; Pykal, Martin; Kührová, Petra; Banáš, Pavel; Šponer, Jiří; Otyepka, Michal
• Is Part Of: Small. Volume 18:Issue 49(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-10-10
• Subjects: biosensors -- force fields -- lipid nanoparticles -- MD simulations -- nucleic acids -- nucleic acid templated assemblies; Nanotechnology -- Periodicals; Nanoparticles -- Periodicals; Microtechnology -- Periodicals; 620.5
• DOI: 10.1002/smll.202204408
• Languages: English
• ISSNs: 1613-6810

Abstract

Abstract: 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. Abstract : This review summarizes state‐of‐the‐art computer simulations of nucleic acids (NA) in nanotechnologies. Progress and limitations in force field development and use are discussed, followed by an overview of the emerging field of NA interactions with bio‐ and nanomaterials, focusing on sensing applications, NA delivery, and NA templated assemblies.