Dmitrii E Makarov

Department of Chemistry

Phone: 512-471-4575

Office Location
WEL 3.132A

Postal Address
The University of Texas at Austin
Chemistry Department
2506 Speedway STOP A5300
Austin, TX 78712

Ph.D., Institute of Chemical Physics, Moscow (1992)
B.S., Moscow Institute of Physics and Technology (1990)


Theoretical and computational chemical physics

Our research is in the broadly defined field of computational and theoretical chemical physics, with an emphasis on problems of fundamental interest. We seek, for example, to understand how biomolecules dissipate energy, how chemical reactions are affected by mechanical stress, and how much time proteins spend en route between folded and unfolded states. Current active topics further include the dynamics of unfolded proteins and DNA, biopolymers attached to surfaces and design of foldable nucleic acid analogs. Although “computer experiments” are the only kind of experiments our group does, we are often directly involved in experimental studies in collaboration with other groups. Single-molecule experiments and theoretical interpretation of single-molecule observations have long been of special interest to us.

Ignacia Echeverria, Dmitrii E. Makarov, and Garegin A. Papoian, Concerted Dihedral Rotations Give Rise to Internal Friction in Unfolded Proteins, the Journal of the American Chemical Society, 136, 8708-8713 (2014).

Sai Sriharsha M. Konda, Stanislav M. Avdoshenko, and Dmitrii E. Makarov, Exploring the topography of the stress-modified energy landscapes of mechanosensitive molecules, J. Chem. Phys. 140, 104114 (2014).

Sai Sriharsha M. Konda, Johnathan N. Brantley, Bibin T. Varghese, Kelly M. Wiggins,, Christopher W. Bielawski, and Dmitrii E. Makarov, Molecular Catch Bonds and anti-Hammond Effect in Polymer Mechanochemistry, the Journal of the American Chemical Society, 135 (2013), 12722-12729. 

Ryan R. Cheng, Alexander T. Hawk, and Dmitrii E. Makarov, Exploring the role of internal friction in the dynamics of unfolded proteins using simple polymer models, J. Chem. Phys. 138, 074112 (2013).

Andrea Soranno, Brigitte Buchli, Daniel Nettels, Sonja Müller-Späth, Ryan R. Cheng, Shawn H. Pfeil, Armin Hoffmann, Everett A. Lipman, Dmitrii E. Makarov, Benjamin Schuler, Quantifying internal friction in unfolded and intrinsically disordered proteins with single molecule spectroscopy, Proc. Nat. Acad. Sci 109 (2012) 17800–17806. 

Dmitrii E. Makarov, Individual proteins under mechanical stress: Lessons from theory and computer simulations, Chapter in the book “Single-molecule studies of protein structure and function”, series on Biophysics for the Life Sciences, V.2, Springer, 2012, pp. 235-268.