Docking studies

{
  "id": "MLC-T-CHM-003369",
  "term": "Docking studies",
  "field": "Chemistry",
  "definition": "Computational investigations that predict the binding modes and affinities of small molecules (ligands) to macromolecular targets (receptors). These studies involve simulating the interaction between a ligand and a protein's active site to identify potential drug candidates. The results provide insights into molecular recognition and guide the design of new therapeutic agents.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "binding site",
    "receptor"
  ],
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1142 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/docking-studies/"
}