Dmitry Matyushov
Associate Professor
Ph.D., Kiev State University (Ukraine), 1989
Areas of Study Soft matter/Electron Transport
Link Personal Homepage


Background We currently work on: the energetics of conversion of light into electric energy (primary photosynthesis), the development of solvation models of biologically significant macromolecules, and simulations and modeling the protein/water interface. Other areas of research include theory of dielectrics, glass transitions, and theory of molecular liquids.

We have developed a computational algorithm to calculate solvation thermodynamics of biopolymers (JCP, 128, 155106 (2008)). The program calculates Gibbs energies of solvation and reorganization energies of electron transfer in ambient water and model force-field solvents as well as in other solvents commonly used in solution Chemistry.

A model of primary charge separation in bacterial reaction centers has recently emerged as a result of extensive MD simulations. It includes a surprisingly broad distribution of electrostatic fluctuations produced by the protein/water thermal bath and ideas of non-ergodyc freezing of fluctuations required to reproduce experimental reaction rates.

Molecular Dynamics simulations of metalloprotein plastocyanin have revealed a very broad distribution of electrostatic fluctuations produced by water at the protein interface. These fluctuations are responsible for a gigantic reorganization energy of electron transfer which depends strongly on the time window used to measure the observables. The non-ergodic free energy surfaces of electron transfer shrink at shorter observation windows.
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Dmitry Matyushov

phone: (480)9650057
email: dmitrym@asu.edu
[Publication] D. N. LeBard, V. Kapko, and D. V. Matyushov, "Energetics and kinetics of primary charge separation in bacterial photosynthesis", J. Phys. Chem. B 112, 10322 (2008).
[Publication] D. LeBard and D. V. Matyushov, "Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins", PRE 78 (2008) 061901.
[Publication] D. LeBard and D. V. Matyushov, "Glassy protein dynamics and gigantic solvent reorganization energy of plastocyanin", J. Phys. Chem. B 112, 5218 (2008).
[Publication] D. V. Matyushov, "Energetics of electron transfer in soft condensed media", Acc. Chem. Res. 40 (2007) 294.