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  • Chemical Engg, IIT Delhi
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  1. Bispidine-paper1 Bispidine-paper1 Public

    Simulation details of bispidine linked peptides and associated molecules

    Shell 1

  2. idp_dimers idp_dimers Public

    α-Synuclein dimerisation scripts

    Jupyter Notebook 1

  3. template_design template_design Public

    Paper data and codes: Linear peptides targeting nsp7 derived from the binding hotspots of nsp12

    Jupyter Notebook

  4. Bispidine-paper2 Bispidine-paper2 Public

    Bispidine2 simulations

    Jupyter Notebook

  5. hotspot_peptides hotspot_peptides Public

    Package development for hotspot identification from PPIs and subsequent peptide design.

  6. langevin_modes langevin_modes Public

    Dimensional reduction, Slow mode analysis, markov state modelling

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