Published February 3, 2026 | Version v1
Dataset Open

Bidirectional allosteric ligand regulation in a central glycolytic enzyme Part 3

Authors/Creators

  • 1. ROR icon Columbia University

Description

Supporting data for the manuscript "Bidirectional allosteric ligand regulation in a central glycolytic enzyme"

Part 1: PyMOL sessions, HXMS data, PFNet output, interaction occupancles, raw_X-ray_data
https://zenodo.org/records/18390796

Part 2: MD trajectories 1
https://zenodo.org/records/18471190

Part 3: MD trajectories 2
https://zenodo.org/records/18471217

Part 4: MD trajectories 3
https://zenodo.org/records/18474581


make sure to merge all the parts of molecular dynamics simulation trajectories into merged.zip before unzipping:

zip -s 0 mdtrajs.zip --out mdtrajs_merged.zip

Files

Files (42.9 GB)

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md5:45746c8b135e4a6ada69455790730da9
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md5:054c1ed1c80b3c3c7afc483ceeb2ba32
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md5:5d83eb462574dc7899fc18cc960879d0
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md5:dde7b6cacd3b2079432d14e0fb39bbd1
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