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  1. 3VTE-model Public

    Molecular dynamics simulation of a FAD-linked oxidocyclase

    Jupyter Notebook

  2. A6P6V9-model Public

    Amber scripts to simulate a homology model of a berberine-bridge enzyme and its substrate

    Python

  3. scFv-model Public

    Affinity maturation of antibody variable fragments

    Python 2 2

  4. polydex Public

    Sugar macrocycle assembled from SMILES strings

    Python

  5. sugammadex-model Public

    Jupyter Notebook