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Research Articles On Molecular Docking | Open Access Journals
Molecular Biology: Open Access

Molecular Biology: Open Access

ISSN: 2168-9547

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Research Articles On Molecular Docking

Molecular docking could also be defined as an optimization problem, which might describe the “best-fit” orientation of a ligand that binds to a specific protein of interest and is employed to predict the structure of the intermolecular complex formed between two or more molecules. The most interesting case is the protein ligand interaction, because of its applications in medicines. Ligand may be a small molecule, which interacts with protein’s binding sites. There are several possible mutual conformations during which binding may occur. These are commonly called binding modes (Sharma et al., 2010). As an example, in total 46,541 X-ray structures were reported at the end of 2008 in PDB, but by the end of 2018 it had grown to a staggering figure of 131,993. In addition, it's a resource saving technique which provides accessibility of screening to academia and little industries which were earlier limited to large pharmaceutical giants. Two molecules can interact in a number of the way including the interaction of a protein and protein or a protein and little molecule. To date, 148,827 are available in the database (PDB).

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