Molecular Docking:
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GEMDOCK - a Generic Evolutionary Method for molecular DOCKing. GEMDOCK is a program for computing a ligand conformation and orientation relative to the active site of target protein.
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AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. |
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This plugin should help to set up docking runs with Autodock and view docking results. It has two features:
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ZDOCK searches all possible binding modes in the translational and rotational space between the two proteins and evaluates each pose using an energy-based scoring function. |
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