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ND7996/readme.md
Nayanika — PhD Researcher

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  1. GPX6 GPX6 Public

    Empirical Valence Bond Simulation on Glutathione Peroxidase 6

    Jupyter Notebook 2

  2. Simulation-OpenMM Simulation-OpenMM Public

    Scripts to prepare structure for running simulation in OpenMM

    Python 1

  3. Amber-Simulation Amber-Simulation Public

    Preparing the system and running simulation using Sander

    Jupyter Notebook

  4. LmrR_EVB LmrR_EVB Public

    EVB LmrR_pAF Alanine Scanning

    OpenEdge ABL

  5. MPNN MPNN Public

    Application of ProteinMPNN from Baker Lab to identify sequence variants that could support the evolutionary improvement of GPX6.

    Python

  6. NRAS NRAS Public

    Identifying novel inhibitors for NRAS protein in deadly skin cancer (Melanoma) which is highly spread more across the western parts of the world using a virtual screening approach.

    TeX