Coarse-Grained Models of RNA Nanotubes for Large Time Scale Studies in Biomedical Applications.

ABSTRACT: In order to describe the physical properties of large time scale biological systems, coarse-grained models play an increasingly important role. In this paper we develop Coarse-Grained (CG) models for RNA nanotubes and then, by using Molecular Dynamics (MD) simulation, we study their physical properties. Our exemplifications include RNA nanotubes of 40 nm long, equivalent to 10 RNA nanorings connected in series. The developed methodology is based on a coarse-grained representation of RNA nanotubes, where each coarse bead represents a group of atoms. By decreasing computation cost, this allows us to make computations feasible for realistic structures of interest. In particular, for the developed coarse-grained models with three bead approximations, we calculate the histograms for the bond an

SUBMITTER: Badu S 

PROVIDER: S-EPMC7400038 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature