Ilya Balabin's page at Duke University

Current position:

Senior Scientist
Research Triangle Park, NC 27711


  • Ph. D. in Physics, University of California, San Diego
  • M. S. cum laude in Physics, Moscow State University, Russia

Email: ilya dot balabin at duke dot edu

Mountain climbing in Caucasus

Research Interests

I employ theory, modeling, and computer simulations to explore properties and function of biological and engineered molecular systems. My research addresses a broad range of topics, including (but not limited to):
  • Protein dynamics and function, broadly taken
  • Allosteric regulation in biomolecular complexes
  • Protein-ligand and protein-protein interactions
  • Molecular recognition and signal transduction
  • Computer-aided drug design and screening
  • Energy transduction in protein machines
  • Biological charge transfer reactions
  • Molecular electronics and biomolecular engineering
  • Bioinformatics, cheminformatics, large-scale data mining and analysis
  • Development of novel methods and software

Pathway dynamics in wild type azurin
(Balabin et al, J. Comp. Chem. 2012)

Representative Publications

Allosteric interactions GPCR (PNAS 2009)
Balabin et al, PNAS 2009

Protein Dynamics and Function

  • I. A. Balabin, W. Yang, and D. N. Beratan. Coarse-grained modeling of allosteric regulation in protein receptors. Proc. Natl. Acad. Sci. USA 106, 14253-14258 (2009). [PDF]

  • A. Aksimentiev, I. A. Balabin, R. H. Fillingame, and K. Schulten. Insights into the molecular mechanism of rotation in the Fo sector of ATP synthase. Biophys. J. 86, 1332-1344 (2004). [PDF]

Green's function correlation
Balabin et al, PRL 2008
(cover figure)

Biological Electron Transfer

  • I. A. Balabin, S. S. Skourtis, and D. N. Beratan. The persistence of structure over fluctuations in biological electron-transfer reactions. Phys. Rev. Lett. 101, 158102 (2008). [PDF] [Supporting information]

  • J. Lin, I. A. Balabin, and D. N. Beratan. The nature of aqueous tunneling pathways between electron-transfer proteins. Science 310, 1311-1313 (2005). [PDF]

  • I. A. Balabin and J. N. Onuchic. Dynamically controlled protein tunneling paths in photosynthetic reaction centers. Science 290, 114-117 (2000). [PDF]

Benzoate on Cu <110> surface

Lee, Balabin, et al,
Chem. Phys. Lett. 2005

Molecular Electronics

  • J. Lee, I. A. Balabin, D. N. Beratan, J.-G. Lee, and J. T. Yates, Jr. Charge transfer though chemisorbed organic molecules – Neutralization of ionization processes at local sites in the molecule. Chem. Phys. Lett. 412, 171-175 (2005). [PDF]

  • I. A. Balabin and J. N. Onuchic. Connection between simple models and quantum chemical models for electron-transfer tunneling matrix element calculations: A Dyson's equations-based approach. J. Phys. Chem. B100, 11573-11580 (1996).[PDF]

Molecular Modeling and Simulations Software that I have developed

Locations of visitors to this page

(C) Ilya A. Balabin

ilya dot balabin at duke dot edu

Modified on 2015-06-26