Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure.

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Protein-Ligand interaction

Protein-Protein interaction

Computer added drug design

 

Molecules | Free Full-Text | Molecular Docking and Anticonvulsant Activity of Newly Synthesized Quinazoline Derivatives 

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