Analytical, Diagnostic and Therapeutic Techniques, and Equipment

Molecular Docking Simulation

A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein.

National Library of MedicineMedical Subject Headings2026

Structured Summary

Abstract

A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein.

MeSH Record

Classification

Broader headings

Related Concepts

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See Also

MeSH Record

Synonyms

10 entry terms
  • Molecular Docking Simulations
  • Docking Simulation, Molecular
  • Simulation, Molecular Docking
  • Molecular Docking
  • Molecular Docking Analysis
  • Analysis, Molecular Docking
  • Docking Analysis, Molecular
  • Docking, Molecular
  • Molecular Docking Analyses
  • Molecular Dockings

MeSH Record

Aspects Covered

10 allowable subheadings

Indexed with the subheadings classification, economics, history, instrumentation, legislation & jurisprudence, methods, standards, statistics & numerical data, supply & distribution, trends.

MeSH Record

History Note

2013

MeSH Hierarchy

Tree Numbers

  1. E05.599w.595w.249w
  2. L01w.224w.160w.249w

AMA Style

References

  1. National Library of Medicine. Molecular Docking Simulation. Medical Subject Headings (MeSH). 2026. Unique ID D062105. http://id.nlm.nih.gov/mesh/2026/D062105
  2. Molecular Docking Simulation. In: Wikipedia. https://en.wikipedia.org/wiki/Docking_(molecular)
  3. Molecular Docking Simulation. In: Wikidata. https://www.wikidata.org/wiki/Q403004