Molecular Modeling of Self-assembly of Nucleic Acid NanoParticles (NANPs)

Datum

13.06.2024

Zeit

13:00 - 15:00

Sprecher

Christina Vilchez

Zugehörigkeit

Materials Science and Engineering, North Carolina State University

Serie

TUD nanoSeminar

Sprache

en

Hauptthema

Physik

Andere Themen

Physik

Host

Arezoo Dianat

Beschreibung

The application of DNA and RNA in nanotechnology holds great promise for a new era of precision medicine, particularly in drug delivery and therapeutic interventions, by leveraging their innate capability for accurate targeting and execution of molecular functions. Nucleic Acid NanoParticles (NANPs) can be used as versatile scaffolds for constructing functional nanomaterials. Despite their potential, the systematic exploration of how NANPs' design parameters—such as size, shape, and sequence—affect their physicochemical properties and dictate their self-assembly into supramolecular structures remains largely uncharted territory. This research aims to bridge this gap through various resolutions of molecular dynamics simulations, offering a pioneering analysis of NANPs as modular units for the assembly of complex biomolecular architectures. Leveraging the distinct capabilities of all-atom (AA), coarse-grained (CG) molecular dynamics, and dissipative particle dynamics (DPD) simulations, this work aims to unravel the complex interplay between NANP design parameters, such as shape, composition, flexibility, and number of linker strands, to their structural, mechanical, and self-assembly characteristics.

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Letztmalig verändert: 13.06.2024, 07:36:46