RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.

ABSTRACT: With both catalytic and genetic functions, ribonucleic acid (RNA) is perhaps the most pluripotent chemical species in molecular biology, and its functions are intimately linked to its structure and dynamics. Computer simulations, and in particular atomistic molecular dynamics (MD), allow structural dynamics of biomolecular systems to be investigated with unprecedented temporal and spatial resolution. We here provide a comprehensive overview of the fast-developing field of MD simulations of RNA molecules. We begin with an in-depth, evaluatory coverage of the most fundamental methodological challenges that set the basis for the future development of the field, in particular, the current developments and inherent physical limitations of the atomistic force fields and the recent advances in a

SUBMITTER: Sponer J 

PROVIDER: S-EPMC5920944 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature