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manuscript
schrodinger
scripts checking in last edits May 24, 2018
yank Update README.md May 24, 2018
.gitignore
DATA_LICENSE
README.md
SOFTWARE_LICENSE

README.md

DOI

Musashi Modeling

This site archives the input files, scripts and figures for the following publication:

Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia

Gerard Minuesa, Steven K Albanese, Arthur Chow, Alexandra Schurer, Sun-Mi Park, Christina Z. Rotsides, James Taggart, Andrea Rizzi, Levi N. Naden, Timothy Chou, Saroj Gourkanti, Daniel Cappel, Maria C Passarelli, Lauren Fairchild, Carolina Adura, Fraser J Glickman, Jessica Schulman, Christopher Famulare, Minal Patel, Joseph K Eibl, Gregory M Ross, Derek S Tan, Christina S Leslie, Thijs Beuming, Yehuda Goldgur, John D Chodera, Michael G Kharas

bioRxiv 321174; doi: https://doi.org/10.1101/321174

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

  • schrodinger - contains project files, input and scripts for structure preparation, cheminformatics, docking and induced fit docking of musashi compounds
  • yank - contains the input files and run scripts, calculation analysis notebooks, and clustering notesboos and pdb file output, as well as figures
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