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Published November 15, 2022 | Version v1
Dataset Restricted

Kaiso-meDNA systems

  • 1. Central Department of Physics, Tribhuvan University, Kirtipur, Kathmandu, Nepal
  • 2. Department of Oncology, Georgetown University, Washington, D.C. 20057, USA
  • 3. Department of Physics, Florida International University, Miami, FL 33199, USA

Description

This list contains the pdb, psf and dcd files of 7 different systems. The MeCG2, MeCG2_mutCG, MeECad, MeECad_mod and MeECad_mod_mutTA systems have three replica runs of length 600 ns or 400ns. The MeCG2_E535A and MeECad_mod_mutTA systems each have a single run of 300 ns. Note: sequences with a C/G pair in the 5'-flanking site: MeCG2_mutCG, MeECad, MeECad_mod; Sequences with a T/A pair in the 5'-flanking site: MeCG, MeECad_mod_mutTA.

The trajectories uploaded here are saved at 1 ns/frame (i.e. 600 frames = 600 ns). The systems are pbc-wrapped and aligned for protein. Trajectories that are not pbc-wrapped and saved more frequently at 0.2 ns/frame (i.e. 5x as many frames) are available upon request.

To load the trajectories in VMD:

mol new MeCG2.psf
mol addfile MeCG2.dcd waitfor all

 

Files

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The record is publicly accessible, but files are restricted to users with access.