Data for Diffusion of knots in nanochannel-confined DNA molecules

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Data for Diffusion of knots in nanochannel-confined DNA molecules

Published Date

2023-05-04

Author Contact

Dorfman, Kevin D
dorfman@umn.edu

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Dataset
Simulation Data

Abstract

This data set contains the input and output files from the simulation in " Diffusion of knots in nanochannel-confined DNA molecules." Langevin dynamics simulations were used to investigate the knot diffusion behavior in the nanochannel confined DNA molecules. With this dataset, users should be able to regenerate all the figures that appeared in the paper.

Description

With the data provided here, users can reproduce all the figures presented in the associated paper. The data set is split into the subdirectories 'figure#' corresponding to each figure in the main paper. Each folder contains input files and output of Langevin dynamics simulations for the corresponding figures in the paper. For a detailed description of the data files, please read the readme file.

Referenced by

Mao, R., & Dorfman, K. (2023). Diffusion of knots in nanochannel-confined DNA molecules. Journal of Chemical Physics. 158 (19).
https://doi.org/10.1063/5.0151025

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This work was supported by National Science Foundation through award CBET-2016879. Computational resources were provided by the Minnesota Supercomputing Institute.

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Previously Published Citation

Suggested citation

Mao, Runfang; Dorfman, Kevin D. (2023). Data for Diffusion of knots in nanochannel-confined DNA molecules. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/j1rp-kr98.
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File View/OpenDescriptionSize
Diffusion_of_knot.zipInput and output data for LAMMPS simulation and characterizing diffusion of knotted DNA in confinement122.34 MB
README.txtDescription of dataset5.89 KB

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