2021-07-21 11:35 Molecular docking is a type of bioinformatics modeling that involves the interaction of two or more molecules to produce a stable adduct. Molecular docking is an attractive scaffold to understand the interaction of drug and biomolecules for rational drug design and discovery, and to place molecules (ligands) into the preferred binding sites of specific regions of DNA/protein (receptor) targets in mechanism research. It mainly forms stable complexes with potential curative effect and higher specificity in non-covalent form. The information obtained from the docking technique can be used to indicate the binding energy, free energy and stability of the complex. Currently, docking technology is used to predict the tentative binding parameters of ligand-receptor complexes in advance.
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