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WillPPK/README.md
  • 👋 Hi, I’m @WillPPK
  • 👀 I’m interested in molecular simulation of transport proteins and receptors.
  • 🌱 I’m currently a postdoc at Lucie Delemotte lab at SciLife lab, Stockholm.This GitHub listed all the scripts I've used throughout my PhD - also all files in my previous publications.
  • 💞️ I’m looking to collaborate on - free energy calculation at CG and lipids interaction with ion channels.
  • 📫 How to reach me : Twitter @WillPPK

Popular repositories Loading

  1. interface interface Public

    This script will generate a heatmap with interface between two proteins subunit which are at 4 A from each other.

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  2. amino_fep amino_fep Public

    This is a collection of files which I used for my previous FEP calculation. A lot of optimisation...

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  3. plotwhateveryoulike plotwhateveryoulike Public

    This will import and plot whatever xvg file you have. Very simple indeed

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  4. water_wire water_wire Public

    This is an extension of the waterwire script written by Will Wu from Biggins group. It will run a loop of water wire analysis and give you a text file at the end.

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  5. propka_run propka_run Public

    Run PROPKA on amino acid residues

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  6. ss-chain-plot ss-chain-plot Public

    This will plot secondary prediction on top of RMSF.

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