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http://arks.princeton.edu/ark:/88435/dsp01765374506
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Webb, Michael | - |
dc.contributor.author | Patel, Roshan | - |
dc.contributor.author | Borca, Carlos | - |
dc.date.accessioned | 2022-05-06T12:52:21Z | - |
dc.date.available | 2022-05-06T12:52:21Z | - |
dc.date.created | 2021-11-03 | - |
dc.date.issued | 2022-05-06 | - |
dc.identifier.uri | http://arks.princeton.edu/ark:/88435/dsp01765374506 | - |
dc.identifier.uri | https://doi.org/10.34770/chzn-mj42 | - |
dc.description.abstract | This distribution compiles numerous physical properties for 2,585 intrinsically disordered proteins (IDPs) obtained by coarse-grained molecular dynamics simulation. This combination comprises "Dataset A" as reported in "Featurization strategies for polymer sequence or composition design by machine learning" by Roshan A. Patel, Carlos H. Borca, and Michael A. Webb (DOI: 10.1039/D1ME00160D). The specific IDP sequences are sourced from version 9.0 of the DisProt database. The simulations were performed using the LAMMPS molecular dynamics engine. The interactions used for simulation are obtained from R. M. Regy , J. Thompson , Y. C. Kim and J. Mittal , Improved coarse-grained model for studying sequence dependent phase separation of disordered proteins, Protein Sci., 2021, 1371 —1379. | en_US |
dc.description.sponsorship | The generation of this data was supported by the National Science Foundation under DMREF Award Number NSF-DMR-2118861. | en_US |
dc.description.tableofcontents | README, dataset_a_sequences.txt, dataset_a_encodings.csv, dataset_a_labels.csv | en_US |
dc.language.iso | en_US | en_US |
dc.publisher | Princeton University | en_US |
dc.relation.isreferencedby | https://doi.org/10.1039/D1ME00160D | en_US |
dc.rights | CC BY NC ND 4.0 (https://creativecommons.org/licenses/by-nc/4.0/) | en_US |
dc.subject | Machine Learning | en_US |
dc.subject | Protein | en_US |
dc.subject | Molecular Simulation | en_US |
dc.subject | Molecular Dynamics | en_US |
dc.title | Data for Coarse-grained Intrinsically Disordered Proteins | en_US |
dc.type | Dataset | en_US |
Appears in Collections: | Research Data Sets |
Files in This Item:
File | Description | Size | Format | |
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README | 2.67 kB | Text | View/Download | |
dataset_a_sequences.txt | 654.7 kB | Text | View/Download | |
dataset_a_encodings.csv | 113.97 kB | CSV | View/Download | |
dataset_a_labels.csv | 89.81 kB | CSV | View/Download |
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