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  • 1
    MEMBPLUGIN

    MEMBPLUGIN

    MEMBPLUGIN: studying membrane complexity in VMD

    MEMBPLUGIN is a membrane analysis tool for molecular-dynamics simulations. It is a collection of visual and command-line tools that can be run within the Visual Molecular Dynamics (VMD) environment to analyze biomolecular simulations of lipid bilayers.
    Downloads: 30 This Week
    Last Update:
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  • 2
    sdf2xyz2sdf
    An open-source software to convert SDF files into TINKER XYZ files (and viceversa) with automatic assignment of MMFF94 atom types, bond types and charges
    Downloads: 9 This Week
    Last Update:
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  • 3

    AutoMap

    AutoMap is a tool for structural biology and drug design.

    AutoMap takes a series of poses obtained from molecular docking and applies the site, epitope and conformational mapping techniques to the poses to select likely ligand binding modes.
    Downloads: 0 This Week
    Last Update:
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  • 4
    OpenCDSurf

    OpenCDSurf

    Compute CD cavity accessibility

    An open-source software aimed at computing cavity accessibility in cyclodextrin derivatives
    Downloads: 0 This Week
    Last Update:
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  • 5
    We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization.
    1 Review
    Downloads: 0 This Week
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