Radius of Gyration in Molecular Dynamics: Measuring Protein Compactness

By BioDockify Computational Research Team · August 9, 2026 · MD Analysis

How to use radius of gyration (Rg) to measure protein compactness in MD simulations. Covers Rg calculation, interpretation, and its role in assessing protein folding and stability.

Read the complete article with tables, code and references on BioDockify.

Key References

• Lobanov, M.Y. et al. Empirical correlations between size and structural parameters in proteins. Proteins 72, 1-10 (2008).
• Lobanov, M.Y. et al. Radius of gyration as an indicator of protein structure compactness. Mol. Biol. 42, 623-628 (2008).
• Kohn, J.E. et al. Random-coil behavior and the dimensions of chemically unfolded proteins. PNAS 101, 12491-12496 (2004).

Scope & Limitations

Rg depends on protein size — compare only within the same protein Does not capture local structural changes Multi-domain proteins have inherently higher Rg