Published June 26, 2024 | Version v2
Dataset Open

DNMT3A/B MD Trajectories

Authors/Creators

  • 1. Izmir Biomedicine and Genome Center
  • 2. ROR icon Dokuz Eylül University

Description

Ensembles extracted from the MD trajectories of DNMT3A-CGC/T/A/G and DNMT3B-CGG/A/T/C complexes. For each complex, we generated a 500 ns long trajectory and recorded structural snapshots at each 0.5 ns, leading to 1001 conformers per complex.

All the MD related parameter files and trajectory analysis scripts are deposited at https://github.com/CSB-KaracaLab/DNMT3AB_specificity/

Our work is described in detail at https://www.biorxiv.org/content/10.1101/2024.02.07.579311v3

 

Files

Files (2.5 GB)

Name Size
md5:7ecdbf2008d91603f91e0e718dc53e48
1.3 GB Download
md5:8440ba520740cc0cacd5da260c941e5b
1.3 GB Download