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Pinned

  1. A2a_smFRET A2a_smFRET Public

    Supplementary materials for DOI 10.1038/s42003-023-04727-z

    Python

  2. CG_probeMD CG_probeMD Public

    a pipeline for running MD simulations in the presence of probe molecules for druggability assessment

    Python 10 1

  3. cg_topologies cg_topologies Public

    A collection of topologies developed for MD simulations using MARTINI

    Python

  4. cgmktop cgmktop Public

    An automated pipeline for parametrization of the coarse-grained models for biomolecular simulations

    Python

  5. palmitoylize palmitoylize Public

    a script for palmitoylation of coarse-grained MARTINI protein models

    Python