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method predicting how molecules fit and interact together

Molecular docking is a method used in computational biology to predict how two molecules, such as a drug and its target protein, fit together. Imagine it like a 3D puzzle where scientists use computer simulations to see how well the pieces (molecules) align and interact, which helps in designing effective medications.

Related Terms

• Computational Chemistry
• Drug Design
• Protein-Ligand Interaction
• Virtual Screening
• Molecular Biology
• Molecular Dynamics Simulations
• Drug Targets
• Molecular Signals
• Molecular Pathways
• Molecular Function