The University of Sheffield
Browse
ARCHIVE
forcefield.zip (713.94 kB)
TEXT
readme.txt (1.18 kB)
1/0
2 files

CHARMM-DYES: Fluorescent dye parameters for use with the CHARMM forcefield

dataset
posted on 2020-07-01, 12:27 authored by Robert Shaw, Tristan Johnston-Wood, Ben Ambrose, Timothy CraggsTimothy Craggs, Grant HillGrant Hill
The residues and parameters that make up the CHARMM-DYES force field, in machine readable GROMACS format. These files are used in molecular dynamics simulations that include the dyes typically used in Förster resonance energy transfer (FRET) experiments.

History

Ethics

  • There is no personal data or any that requires ethical approval

Policy

  • The data complies with the institution and funders' policies on access and sharing

Sharing and access restrictions

  • The data can be shared openly

Data description

  • The file formats are open or commonly used

Methodology, headings and units

  • There is a readme.txt file describing the methodology, headings and units

Usage metrics

    Department of Chemistry

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC