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8 followers · 12 following
  • University of Edinburgh
  • 23:24 (UTC -12:00)

Achievements

Achievement: Pull Shark

Achievements

Achievement: Pull Shark

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ESPhoenix/README.md

Hi, I’m @ESPhoenix I’m interested in creating computational pipelines for protein design and simulation You can contact me at [email protected] if you are interested in colaborating or need help using my scripts!

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  1. drMD drMD Public

    Automated workflow for running molecular dynamics simulations with Amber and Openmm

    Python 7 1

  2. pdbUtils pdbUtils Public

    reads protein PDB files into Pandas dataframes, writes back to PDB files

    Python 3

  3. coFeatures coFeatures Public

    Cofactor-dependent feature generation for protiens

    Python 1

  4. multiCaveFeatures multiCaveFeatures Public

    core, exterior, pocket regions - feature generation, one per pocket

    Python 1

  5. pocketDock pocketDock Public

    Modified Vina docking procedure, with pocket detection - fully automated

    Python 1

  6. voidDock voidDock Public

    docking protocol using fpocket, mutates all pocket residues to Alanine

    Python 1 1