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Molecular Docking

Meaning

Molecular docking is a computational modeling technique used in drug discovery and molecular endocrinology to predict the preferred orientation and binding affinity of one molecule, typically a ligand like a hormone or drug, to another molecule, such as a receptor or enzyme. This predictive tool helps scientists rationally design novel therapeutic agents by understanding the precise atomic interactions at the binding site. The process is instrumental in identifying compounds with high specificity and potency for endocrine targets.