Published March 17, 2026 | Version v1
Dataset Open

Intramolecular interactions between folded and disordered regions shape ubiquilin structure and function

Authors/Creators

  • 1. ROR icon Syracuse University
  • 2. UC Merced

Description

Simulation Data for: Intramolecular interactions between folded and disordered regions shape ubiquilin structure and function

Authors: Jess Niblo, Nirbhik Acharya, Max Watkins, Thuy P. Dao, Carlos A. Castañeda, Shahar Sukenik

This repository contains the trajectory data for molecular dynamics simulations and reconstructed ensembles included in "Intramolecular interactions between folded and disordered regions shape ubiquilin structure and function". 

File description: 

  • Representative_Simulations.zip:  representative trajectories from CALVADOS simulations for Dsk2 FL, dHS1, dHS2, and dHS3 in the open and closed topologies 
  • Reconstructed_Ensembles.zip: reconstructed ensembles for Dsk2 FL, dHS1, dHS2, and dHS3 that were derived from experimental SAXS 

See analysis repository at: https://github.com/sukeniklab/UBQLN_interactions_2026

Files

Reconstructed_Ensembles.zip

Files (4.9 GB)

Name Size Download all
md5:47b8bfb4e9e80930bae72c513e40503c
1.2 GB Preview Download
md5:2e6916484020327b16833c66546f70f9
3.7 GB Preview Download

Additional details

Related works

Is supplement to
Publication: https://www.biorxiv.org/content/10.64898/2026.03.13.711692v1 (URL)

Software

Repository URL
https://github.com/sukeniklab/UBQLN_interactions_2026/tree/main
Programming language
Python