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  1. Molecular-dyamics-protein-in-water Molecular-dyamics-protein-in-water Public

    A tutorial to run molecular dynamics (protein in water) with Gromacs

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  2. Molecular-dynamics-Interaction-plot Molecular-dynamics-Interaction-plot Public

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  3. Molecuar-Docking-with-Autodock4 Molecuar-Docking-with-Autodock4 Public

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    In this repository, we present a simple procedure to perform Free Energy landscape plots, taking results from molecular dynamics simulation.

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  5. Multiple-protein-protein-energies-interactions-with-Foldx Multiple-protein-protein-energies-interactions-with-Foldx Public

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  6. Virtual-screening-semi-flexible-with-Autodock-vina Virtual-screening-semi-flexible-with-Autodock-vina Public

    This is a bash script to analyse multipe ligands in a semiflexible receptor.

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