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Molecular docking is a valuable in silico technique for discovery/design of bioactive compounds.
In modern drug designing, molecular docking is routinely used for understanding drug-receptor interaction.
Molecular docking is a key tool in computer-assisted drug design and development.
Molecular docking is a key tool in structural molecular biology and computer-assisted drug design.
As the structures of more and more proteins and nucleic acids become available, molecular docking is increasingly considered for lead discovery.
The results show that the combination of homology modeling and molecular docking is a feasible method to filter inappropriate mutations in molecular design and point out beneficial mutations.
In this method, the optimization of molecular docking is divided into two subproblems based on the different effects on the protein ligand interaction energy.
Molecular docking is a key tool in structural molecular biology.
Molecular docking is a computational method that predicts how a ligand interacts with a receptor.
Molecular docking is an efficient method to get an insight into ligand-receptor interactions.
For example, virtual screening by molecular docking is routinely used in computer-aided drug discovery.
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