Abstract
Molecular docking is a key instrument in structural molecular biology and computer-assisted drug design. The objective of ligand-protein docking is to expect the main binding mode(s) of a ligand with a protein of known three-dimensional structure. Effective docking methods search high-dimensional spaces effectively and finding a scoring function that correctly ranks candidate dockings (Morris et al., 2008). In this study molecular docking study was performed for 54 Acetylcholinesterase Inhibitors compounds.
Highlights
Molecular docking is a computational process for the insertion of ligands into the binding site of their receptor
In this study molecular docking study was performed for 54 Acetylcholinesterase Inhibitors compounds
Molecular docking study was performed for 56 Acetylcholinesterase Inhibitors compounds
Summary
Molecular docking is a computational process for the insertion of ligands (often small molecules) into the binding site of their receptor (macromolecular target). The objective of ligandprotein docking is to expect the main binding mode(s) of a ligand with a protein of known three-dimensional structure. In this study molecular docking study was performed for 54 Acetylcholinesterase Inhibitors compounds.
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