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Code and data for SETD8 simulations
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APO
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README.md

SETD8 Folding@home simulations

This site archives trajectory data, scripts, and supplementary figures for the following publication:

Shi Chen, Rafal P. Wiewiora, Fanwang Meng, Nicolas Babault, Anqi Ma, Wenyu Yu, Kun Qian, Hao Hu, Hua Zou, Junyi Wang, Shijie Fan, Gil Blum, Fabio Pittella-Silva, Kyle A. Beauchamp, Wolfram Tempel, Hualiang Jiang, Kaixian Chen, Robert Skene, Y. George Zheng, Peter J. Brown, Jian Jin, Cheng Luo, John D. Chodera, and Minkui Luo.

The Dynamic Conformational Landscapes of the Protein Methyltransferase SETD8.

DOI: http://dx.doi.org/10.7554/eLife.45403

Complete Folding@home simulation data analyzed for this publication is available via the Open Science Framework.

License

  • The software in this repository is made available under the MIT License - a copy of this license is provided as SOFTWARE_LICENSE
  • The data in this repository is made available under the CC BY 4.0 License - a copy of this license is provided as DATA_LICENSE

Manifest

  • APO/ - all of the scripts and jupyter notebooks used to set up and process the simulation data for wild type apo-SETD8
  • SAM/ - all of the scripts and jupyter notebooks used to set up and process the simulation data for wild type cofactor (SAM)-bound SETD8
  • MUTANTS/ - all of the scripts and jupyter notebooks used to set up and process the simulation data for mutant apo-SETD8
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