Alexander Soudackov

Alexander Soudackov


Proton-Coupled Electron Transfer; Molecular Dynamics

Alexander.Soudackov@yale.edu

(217) 300-1480

Ph.D in Physics and Mathematics, 1992
Karpov Institute of Physical Chemistry, Moscow, Russia

M.S. in Chemistry, 1986
Moscow State University, Moscow, Russia

Publications

Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer

253. Z. K. Goldsmith, A. V. Soudackov, and S. Hammes-Schiffer, “Theoretical analysis of the inverted region in photoinduced proton-coupled electron transfer,” Faraday Discuss(in press) DOI: 10.1039/c8fd00240a.

Proton discharge on a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of potential-dependent kinetic isotope effects

248.  Z. K. Goldsmith, Y. C. Lam, A V. Soudackov, and S. Hammes-Schiffer, “Proton discharge on a gold electrode from triethylammonium in acetonitrile: Theoretical modeling of potential-dependent kinetic isotope effects,” J. Am. Chem. Soc. 141, 1084-1090 (2019).

Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer

244. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, “Impact of mutations on the binding pocket of soybean lipoxygenase: Implications for proton-coupled electron transfer,” J. Phys. Chem. Lett. 96444-6449 (2018).

Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations

235. P. Li, A. V. Soudackov, and S. Hammes-Schiffer, “Fundamental insights into proton-coupled electron transfer in soybean lipoxygenase from quantum mechanical/molecular mechanical free energy simulations,” J. Am. Chem. Soc. 140, 3068-3076 (2018).

Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals

234. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, “Role of proton diffusion in the kinetics of proton-coupled electron transfer from photoreduced ZnO nanocrystals,” ACS Nano. 11, 10295-10302 (2017).

Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical

233. S. Ghosh, J. Castillo-Lora, A. V. Soudackov, J. M. Mayer, and S. Hammes-Schiffer, “Theoretical insights into proton-coupled electron transfer from a photoreduced ZnO nanocrystal to an organic radical,” Nano. Lett. 17, 5762-5767 (2017).

Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models

226. S. Hu, A. V. Soudackov, S. Hammes-Schiffer, and J. P. Klinman, “Enhanced rigidification within a double mutant of soybean lipoxygenase provides experimental support for vibronically nonadiabatic proton-coupled electron transfer models,” ACS Catal. 7, 3569-3574 (2017).

Proton-coupled electron transfer reactions: Analytical rate constants and case study of kinetic isotope effects in lipoxygenase

216. A. V. Soudackov and S. Hammes-Schiffer, “Proton-coupled electron transfer reactions: Analytical rate constants and case study of kinetic isotope effects in lipoxygenase,” Farady Discuss. 195, 171-189 (2016).

Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase

214. T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, “Computational insights into five- versus six-coordinate iron center in ferrous soybean lipoxygenase,” J. Phys. Chem. Lett. 7, 3429-3433 (2016).

Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies

208. S. Ghosh, A. V. Soudackov, and S. Hammes-Schiffer, “Electrochemical electron transfer and proton-coupled electron transfer: Effects of double layer and ionic environment on solvent reorganization energies,” J. Chem. Theory Comput. 12, 2917-2925 (2016).