Data from: Ensembler: enabling high-throughput molecular simulations at the superfamily scale

Parton DL, Grinaway PB, Hanson SM, Beauchamp KA, Chodera JD

Date Published: June 24, 2016

DOI: http://dx.doi.org/10.5061/dryad.7fg32

 

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Title ensembler_dataset-datafiles
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Description tar archive containing target and template data files for tyrosine kinase Ensembler project, plus README and script for generating the same data. Extract using 'tar xvf ensembler_dataset-datafiles.tar'. The ensembler_dataset-models* tar archives contain model data and should be extracted at the same location as this archive.
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Title ensembler_dataset-models-ABL1-EPHA2
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Title ensembler_dataset-models-EPHA3-ERBB4
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Title ensembler_dataset-models-FAK1-INSRR
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Title ensembler_dataset-models-INSR-LMTK3
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Title ensembler_dataset-models-LTK-RON
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Title ensembler_dataset-models-ROR1-TYRO3
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Title ensembler_dataset-models-UFO-ZAP70
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When using this data, please cite the original publication:

Parton DL, Grinaway PB, Hanson SM, Beauchamp KA, Chodera JD (2016) Ensembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale. PLOS Computational Biology 12(6): e1004728. http://dx.doi.org/10.1371/journal.pcbi.1004728

Additionally, please cite the Dryad data package:

Parton DL, Grinaway PB, Hanson SM, Beauchamp KA, Chodera JD (2016) Data from: Ensembler: enabling high-throughput molecular simulations at the superfamily scale. Dryad Digital Repository. http://dx.doi.org/10.5061/dryad.7fg32
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