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Computation, such as high-throughput screening and virtual screening, which are essential tools of modern drug discovery research, has an important role in drug discovery. Molecular docking is an in silico method used to develop the homology model for a novel drug candidate. Due to the fact that curcumin is a well-known drug, molecular docking in that context can be performed either for investigating the binding capacities of curcumin with novel targeted molecules or for curcumin analogs. Molecular docking is very useful and reasonably reliable for predicting putative binding interactions, activities and affinities of drugs for macromolecules like proteins.

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