Molecular dynamics-generated ensemble dataset of ubiquitin; for "PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein Ensembles"

Aina, Adekunle; Hsueh, Shawn C. C.; Plotkin, Steven S.

doi:10.5281/zenodo.7792288

Published April 2, 2023 | Version v1

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Molecular dynamics-generated ensemble dataset of ubiquitin; for "PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein Ensembles"

1. UBC

The molecular dynamics-generated ensemble dataset (229Mb zip file) for ubiquitin, used in the manuscript "PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein Ensembles", submitted to the Journal of Chemical Information and Modeling (JCIM). The dataset consists of 6 .dcd files, and one .pdb file.

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ubiquitin-md-generated-ensemble.zip

Files (228.8 MB)

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ubiquitin-md-generated-ensemble.zip md5:3372f857beb371ca5ebc8d57877c5c79	228.8 MB	Preview Download

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Dataset

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Zenodo

Published in

Journal of Chemical Information and Modeling, 2023.

License: Creative Commons Attribution 4.0 International

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Technical metadata

Created: April 2, 2023
Modified: April 3, 2023

Molecular dynamics-generated ensemble dataset of ubiquitin; for "PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein Ensembles"

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Files

ubiquitin-md-generated-ensemble.zip

Files (228.8 MB)