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Office: CAP 3.54 Email: v.oganesyan@uea.ac.uk Tel: +44 (0)1603-592698 School Position: Senior Lecturer in Computational Chemistry |
Vasily graduated from Moscow State University in 1993 with an MSc in physics. He undertook his PhD in biophysics at the Molecular Biology Institute in Moscow working on the theoretical analysis of spectroscopic properties of high-spin ferrous haem proteins. In 1997 he joined UEA as a postdoctoral researcher working with Prof AJ Thomson, FRS on the development and application of novel theoretical and computational methods for analysing electronic, magnetic and optical properties of transition metal centres in proteins, single molecular magnets (nanomagnets) and systems containing spin radicals. In 2004 Vasily was awarded an Advanced EPSRC Fellowship. He was awarded the Inorganic Biochemistry Discussion Group (IBDG) of the RSC Inaugural Young Investigators Award in 2006. In 2007 Vasily was appointed as a Lecturer in Computational Chemistry. In 2008 he was a Visiting Scholar at the Centre for Magnetic Resonance, the University of Queensland, Australia.
His research interests include many areas of chemistry, molecular biology and biophysics which require the application of modern methods of physical and theoretical chemistry for analysing data from advanced spectroscopic techniques applied to molecular systems. These include Magnetic Circular Dichroism (MCD), EPR, muon spectroscopy, Nuclear Inelastic Scattering.
Vasily's current research focuses on atomistic scale Molecular Dynamics (MD) simulations on complex molecular systems (proteins and liquid crystals) with introduced spin labels and probes for EPR studies and developing theoretical/computational approaches for prediction of motional EPR spectra from MD simulations.
His work also uses extensively the application of ab initio and DFT computational methods for electronic structure calculation and properties prediction.
Selected publications
Chami, F., Wilson, M.R. and Oganesyan, V.S
Molecular dynamics and EPR spectroscopic studies of 8CB liquid crystal
Soft Matter, 8 (25), 2823-2833, 2012
DOI: 10.1039/c2sm25429h
Molecular dynamics and EPR spectroscopic studies of 8CB liquid crystal
Soft Matter, 8 (25), 2823-2833, 2012
DOI: 10.1039/c2sm25429h
Oganesyan V.S.*
A general approach for prediction of motional EPR spectra from Molecular Dynamics (MD) simulations: application to spin labelled protein
Phys. Chem. Chem. Phys., 13 (10), 4724-4731., 2011.
DOI: 10.1039/C0CP01068E
Kuprusevicius E., White G.F. and Oganesyan V.S.*
Prediction of nitroxide spin label EPR spectra from MD trajectories: application to Myoglobin
Faraday Discuss., 148, 283-298, 2011, (selected as Hot Article)
DOI: 10.1039/C004855K
A. JablonskytÄ—, J.A. Wright, S.A. Fairhurst, J.N.T. Peck, S.K. Ibrahim, V.S. Oganesyan and C.J. Pickett
Paramagnetic Bridging Hydrides of Relevance to Catalytic Hydrogen Evolution at Metallo-sulfur Centers.
J. Am. Chem. Soc., 133 (46), 18606-9, 2011.
DOI: 10.1021/ja2087536
Kuprusevicius E., Edge R., Gopee H., Cammidge A.N., McInnes E.J.L., Wilson M.R., and Oganesyan V.S.
Prediction of EPR spectra of liquid crystals with doped spin probes from fully atomistic MD simulations: Exploring molecular order and dynamics at the phase transition
Chem. Eur. J., 16, (38), 11558-11562, 2010.
DOI: 10.1002/chem.201001439
Oganesyan V.S.*, White G.F., Field S., Marritt S., Gennis R.B., Yap L.L. and Thomson A.J.
Nitroxide spin labels as EPR reporters of the relaxation and magnetic properties of the heme-copper site in cytochrome bo3, E. coli
J. Biol. Inorg. Chem., 15 (8), 1255-1264, 2010.
DOI: 10.1007/s00775-010-0683-5
McMaster J. and Oganesyan V.S.
Magnetic Circular Dichroism Spectroscopy as a Probe of the Structures of the Metal Sites in Metalloproteins
Current Opinion. Struct. Biol., 20 (5), 615-622, 2010.
DOI: 10.1016/j.sbi.2010.06.006,
Oganesyan V.S. *, Kuprusevicius E., Gopee H., Cammidge A.N. and Wilson M.R.
Electron paramagnetic resonance spectra simulation directly from molecular dynamics trajectories of a liquid crystal with a doped paramagnetic spin probe
Phys. Rev. Lett., 102, 013005, 2009.
DOI: 10.1103/PhysRevLett.102.013005
A general approach for prediction of motional EPR spectra from Molecular Dynamics (MD) simulations: application to spin labelled protein
Phys. Chem. Chem. Phys., 13 (10), 4724-4731., 2011.
DOI: 10.1039/C0CP01068E
Kuprusevicius E., White G.F. and Oganesyan V.S.*
Prediction of nitroxide spin label EPR spectra from MD trajectories: application to Myoglobin
Faraday Discuss., 148, 283-298, 2011, (selected as Hot Article)
DOI: 10.1039/C004855K
A. JablonskytÄ—, J.A. Wright, S.A. Fairhurst, J.N.T. Peck, S.K. Ibrahim, V.S. Oganesyan and C.J. Pickett
Paramagnetic Bridging Hydrides of Relevance to Catalytic Hydrogen Evolution at Metallo-sulfur Centers.
J. Am. Chem. Soc., 133 (46), 18606-9, 2011.
DOI: 10.1021/ja2087536
Kuprusevicius E., Edge R., Gopee H., Cammidge A.N., McInnes E.J.L., Wilson M.R., and Oganesyan V.S.
Prediction of EPR spectra of liquid crystals with doped spin probes from fully atomistic MD simulations: Exploring molecular order and dynamics at the phase transition
Chem. Eur. J., 16, (38), 11558-11562, 2010.
DOI: 10.1002/chem.201001439
Oganesyan V.S.*, White G.F., Field S., Marritt S., Gennis R.B., Yap L.L. and Thomson A.J.
Nitroxide spin labels as EPR reporters of the relaxation and magnetic properties of the heme-copper site in cytochrome bo3, E. coli
J. Biol. Inorg. Chem., 15 (8), 1255-1264, 2010.
DOI: 10.1007/s00775-010-0683-5
McMaster J. and Oganesyan V.S.
Magnetic Circular Dichroism Spectroscopy as a Probe of the Structures of the Metal Sites in Metalloproteins
Current Opinion. Struct. Biol., 20 (5), 615-622, 2010.
DOI: 10.1016/j.sbi.2010.06.006,
Oganesyan V.S. *, Kuprusevicius E., Gopee H., Cammidge A.N. and Wilson M.R.
Electron paramagnetic resonance spectra simulation directly from molecular dynamics trajectories of a liquid crystal with a doped paramagnetic spin probe
Phys. Rev. Lett., 102, 013005, 2009.
DOI: 10.1103/PhysRevLett.102.013005



