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Showing 1 open source project for "upnp-md"

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    ProtPOS

    ProtPOS

    Prediction of PROTtein Preferred Orientation on a Surface

    ProtPOS is a self-contained, lightweight, and easy-to-use software package for predicting the preferred orientation of protein on a given surface upon initial adsorption. It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD...
    Downloads: 1 This Week
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