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Molecular-dyamics-protein-in-water
Molecular-dyamics-protein-in-water PublicA tutorial to run molecular dynamics (protein in water) with Gromacs
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Molecular-dynamics-Interaction-plot
Molecular-dynamics-Interaction-plot PublicTwo scripts for MD interaction analysis (similar to interaction fraction on desmond).
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Molecuar-Docking-with-Autodock4
Molecuar-Docking-with-Autodock4 PublicA basic step-by-step tutorial to run molecular docking.
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Free-energy-landscape
Free-energy-landscape PublicIn this repository, we present a simple procedure to perform Free Energy landscape plots, taking results from molecular dynamics simulation.
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Multiple-protein-protein-energies-interactions-with-Foldx
Multiple-protein-protein-energies-interactions-with-Foldx PublicMultiple-protein-protein-energies-interactions-with-Foldx
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Virtual-screening-semi-flexible-with-Autodock-vina
Virtual-screening-semi-flexible-with-Autodock-vina PublicThis is a bash script to analyse multipe ligands in a semiflexible receptor.
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