Alexei Stuchebrukhov

Personal Home Page

http://biosci2.ucdavis.edu/FacultyProfiles/BioPhysicsGG/display_bph_facultyprofile.cfm?ResearcherID=1705

Articles in Scholarly Journals [Incomplete List]

  1. Photoactivated excited states of DNA repair photolyase: Dynamical and semiempircal identification
    International Journal of Quantum Chemistry, vol. 107, no. 15, pp. 3126–3131, 2007
  2. An accurate and efficient procedure of fitting electric field potential by point charges for QM/MM calculations
    physica status solidi (b), vol. 243, no. 9, pp. 2030–2037, 2006
  3. Combined DFT and electrostatics study of the proton pumping mechanism in cytochrome c oxidase
    Biochimica et Biophysica Acta (BBA) - Bioenergetics, vol. 1757, no. 8, pp. 1035–1046, 2006
  4. Journal of Physical Chemistry B, vol. 110, no. 34, pp. 17286–17287, 2006
  5. Journal of Physical Chemistry B, vol. 110, no. 24, pp. 12162–12166, 2006
  6. Two conformational states of Glu242 and pKas in bovine cytochrome c oxidase
    Photochemical & Photobiological Sciences, vol. 5, no. 6, p. 611, 2006
  7. Protein dynamics control of electron transfer in reaction centers from Rps. viridis
    Molecular Simulation, vol. 32, no. 9, pp. 735–750, 2006
  8. The Journal of Physical Chemistry B, vol. 109, no. 2, pp. 1015–1022, 2005
  9. The Journal of Physical Chemistry B, vol. 109, no. 5, pp. 1999–2006, 2005
  10. The Journal of Physical Chemistry B, vol. 109, no. 8, pp. 3616–3626, 2005
  11. Analysis of the kinetics of the membrane potential generated by cytochrome oxidase upon single electron injection
    Biochimica et Biophysica Acta (BBA) - Bioenergetics, vol. 1710, no. 1, pp. 47–56, 2005
  12. Does internal water influence electron tunneling in proteins? Example of cytochromec oxidase
    International Journal of Quantum Chemistry, vol. 102, no. 5, pp. 473–479, 2005
  13. Kinetics of proton diffusion in the regimes of fast and slow exchange between the membrane surface and the bulk solution
    Journal of Mathematical Biology, vol. 52, no. 2, pp. 209–234, 2005
  14. Breakdown of the Born–Oppenheimer–Condon–Marcus approximation in long distance electron transfer
    Chemical Physics, vol. 296, no. 2-3, pp. 181–192, 2004
  15. Proton pumping mechanism and catalytic cycle of cytochrome c oxidase: Coulomb pump model with kinetic gating
    FEBS Letters, vol. 566, no. 1-3, pp. 126–130, 2004
  16. Journal of the American Chemical Society, vol. 126, no. 6, pp. 1858–1871, 2004
  17. The Journal of Physical Chemistry B, vol. 108, no. 47, pp. 18383–18389, 2004
  18. Measurement of the autoionization lifetime of the superexcited atomic sulfur S(3s23p3(2Do)4d) state using tunable vacuum ultraviolet (VUV) radiation
    Canadian Journal of Chemistry, vol. 82, no. 6, pp. 885–890, 2004
  19. On the electron tunneling in molecules: A generalized orthogonalization procedure for finding tunneling orbitals
    The Journal of Chemical Physics, vol. 121, no. 18, p. 8680, 2004
  20. Russian Journal of Bioorganic Chemistry, vol. 29, no. 1, pp. 18–25, 2003
  21. Tunneling currents in long-distance electron transfer reactions. V. Effective one electron approximation
    The Journal of Chemical Physics, vol. 118, no. 17, p. 7898, 2003
  22. The Journal of Physical Chemistry B, vol. 107, no. 27, pp. 6621–6628, 2003
  23. The Journal of Physical Chemistry B, vol. 107, no. 35, pp. 9579–9584, 2003
  24. Long-distance electron tunneling in proteins
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), vol. 110, no. 5, pp. 291–306, 2003
  25. Computer simulation of water in cytochrome c oxidase
    Biochimica et Biophysica Acta (BBA) - Bioenergetics, vol. 1557, pp. 99–107, 2003
  26. Proton transport via coupled surface and bulk diffusion
    The Journal of Chemical Physics, vol. 116, no. 4, p. 1692, 2002
  27. DNA Repair Mechanism by Photolyase: Electron Transfer Path from the Photolyase Catalytic Cofactor FADH-to DNA Thymine Dimer
    Journal of Theoretical Biology, vol. 210, no. 2, pp. 237–248, 2001
  28. The Journal of Physical Chemistry B, vol. 105, no. 24, pp. 5789–5796, 2001
  29. Journal of the American Chemical Society, vol. 122, no. 28, pp. 6571–6582, 2000
  30. Theoretical Study of Electron Transfer between the Photolyase Catalytic Cofactor FADH- and DNA Thymine Dimer
    Journal of the American Chemical Society, vol. 122, no. 6, pp. 1057–1065, 2000
  31. The Journal of Physical Chemistry B, vol. 104, no. 29, pp. 6894–6902, 2000
  32. The Journal of Physical Chemistry B, vol. 104, no. 35, pp. 8606–8613, 2000
  33. Ab initio calculations of long-distance electron tunneling in organometallic systems of biological origin
    International Journal of Quantum Chemistry, vol. 77, no. 1, pp. 16–26, 2000
  34. DFT calculation of electron tunneling currents: Real-space (grid) molecular orbitals vs. Gaussian-type molecular orbitals
    International Journal of Quantum Chemistry, vol. 80, no. 4-5, pp. 591–597, 2000
  35. Concerted electron and proton transfer: Transition from nonadiabatic to adiabatic proton tunneling
    The Journal of Chemical Physics, vol. 113, no. 23, p. 10438, 2000
  36. Effect of quantum modes in biological electron transfer reactions: A useful approximation for the harmonic model with frequency change and Duchinsky rotation
    The Journal of Chemical Physics, vol. 112, no. 20, p. 9015, 2000
  37. Tunneling currents in long-distance electron transfer reactions. III. Many-electron formulation
    The Journal of Chemical Physics, vol. 108, no. 20, p. 8499, 1998
  38. Tunneling currents in long-distance electron transfer reactions. IV. Many-electron formulation. Nonorthogonal atomic basis sets and Mulliken population analysis
    The Journal of Chemical Physics, vol. 108, no. 20, p. 8510, 1998
  39. New expression for the effective transfer matrix element in long-range electron transfer reactions
    The Journal of Chemical Physics, vol. 109, no. 12, p. 4960, 1998
  40. Dynamic effects in long-distance biological electron transfer reactions
    Pure and Applied Chemistry, vol. 70, no. 11, pp. 2201–2210, 1998
  41. The Journal of Physical Chemistry A, vol. 102, no. 17, pp. 2847–2856, 1998
  42. On the non-orthogonal basis set calculations of the bridge-mediated electronic matrix elements
    Chemical Physics Letters, vol. 265, no. 6, pp. 643–648, 1997
  43. Effect of protein dynamics on biological electron transfer
    Proceedings of the National Academy of Sciences, vol. 94, no. 8, pp. 3703–3708, 1997
  44. Calculation of electronic tunneling matrix element in proteins: Comparison of exact and approximate one-electron methods for Ru-modified azurin
    The Journal of Chemical Physics, vol. 106, no. 13, p. 5658, 1997
  45. Tunneling currents in proteins: Nonorthogonal atomic basis sets and Mulliken population analysis
    The Journal of Chemical Physics, vol. 107, no. 16, p. 6495, 1997
  46. Inelastic tunneling in long-distance biological electron transfer reactions
    The Journal of Chemical Physics, vol. 107, no. 10, p. 3821, 1997
  47. Tunneling currents in electron transfer reactions in proteins
    The Journal of Chemical Physics, vol. 104, no. 21, p. 8424, 1996
  48. Tunneling currents in electron transfer reaction in proteins. II. Calculation of electronic superexchange matrix element and tunneling currents using nonorthogonal basis sets
    The Journal of Chemical Physics, vol. 105, no. 24, p. 10819, 1996
  49. Tunneling matrix element in Ru-modified blue copper proteins: pruning the protein in search of electron transfer pathways
    Inorganica Chimica Acta, vol. 243, no. 1-2, pp. 271–282, 1996
  50. Journal of Physical Chemistry, vol. 99, no. 19, pp. 7581–7590, 1995
  51. Decay and Recurrences of Wave Packets in Nonlinear Quantum Systems
    Journal of Physical Chemistry, vol. 98, no. 13, pp. 3285–3289, 1994
  52. Vibrational superexchange mechanism of intramolecular vibrational relaxation in 3,3-dimethylbut-1-yne molecules
    Journal of Physical Chemistry, vol. 97, no. 48, pp. 12491–12499, 1993
  53. Journal of Physical Chemistry, vol. 94, no. 4, pp. 1294–1297, 1990