Structures and Dynamics of DNA Mini-Dumbbells Are Force Field Dependent.

ABSTRACT: Flexible nucleic acid structures can be challenging to accurately resolve with currently available experimental structural determination techniques. As an alternative, molecular dynamics (MD) simulations can provide a window into understanding the unique dynamics and population distributions of these biomolecules. Previously, molecular dynamics simulations of noncanonical (non-duplex) nucleic acids have proven difficult to accurately model. With a new influx of improved nucleic acid force fields, achieving an in-depth understanding of the dynamics of flexible nucleic acid structures may be achievable. In this project, currently available nucleic acid force fields are evaluated using a flexible yet stable model system: the DNA mini-dumbbell. Prior to MD simulations, nuclear magnetic resonan

SUBMITTER: Winkler L 

PROVIDER: S-EPMC10134427 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature