Projects per year
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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 for “for development of theory, analysis and computational methods for advanced spectroscopies with application to metal centres in proteins”. In 2007 Vasily was appointed as a Lecturer in Computational Chemistry and was promoted to Senior lecturer in 2012.
In 2008 he was a Visiting Scholar at the Centre for Magnetic Resonance, the University of Queensland, Australia and in 2009 he was a Visiting Fellow at the National Institute for Advanced Industrial Science and Technology, Tsukuba, Japan.
Vasily’s research interests broadly concern with the areas of chemistry and molecular biophysics which require the application of the methods of physical, theoretical and computational chemistry for analysing data from advanced spectroscopic techniques applied to molecular systems. These include Electron Paramagnetic Resonance (EPR), Magnetic Circular Dichroism (MCD), Nuclear Inelastic Scattering (NIS) and muon spectroscopy.
Vasily's current research focuses on Molecular Dynamics (MD) simulations on complex molecular systems with introduced spin labels and probes and advancing theoretical/computational approaches for prediction of motional EPR spectra from MD results. This includes proteins and soft matter systems such as liquid crystals and phospholipids assemblies. Vasily’s group combines modelling work with experimental EPR.
Thermoelectric enhancement in single organic radical molecules, Hurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., Lambert, C. J., Oganesyan, V. S., Bryce, M. R., Agraït, N. & Sadeghi, H., Nano Letters, 22, 3, 948-95, 2022, DOI: 10.1021/acs.nanolett.1c03698
DEER and RIDME measurements of the nitroxide-spin labelled copper-bound amine oxidase homodimer from Arthrobacter Globiformis, Russell, H., Stewart, R., Prior, C., Oganesyan, V. S., Gaule, T. G. & Lovett, J. E., Applied Magnetic Resonance. 52, 8, 995–1015, 2021, DOI: 10.1007/s00723-021-01321-6
EPR spectroscopy and molecular dynamics modelling: a combined approach to study liquid crystals. Oganesyan, V. S., Liquid Crystals, 45, 13-15, 2139-2157, 2018, DOI: 10.1080/02678292.2018.1508767
Direct prediction of EPR spectra from lipid bilayers: Understanding structure and dynamics in biological membranes, Catte, A., White, G. F., Wilson, M. R. & Oganesyan, V. S., ChemPhysChem. 19, 17, 2183-2193, 2018, DOI: 10.1002/cphc.201800386
Prediction of EPR spectra of lyotropic liquid crystals using a combination of molecular dynamics simulations and the model-free approach, Prior, C. and Oganesyan, V. S., Chemistry - A European Journal, 23, 53, 13192–13204, 2017, DOI: 10.1002/chem.201702682
Gopee H., Cammidge A.N., and Oganesyan V.S.
Probing Columnar Discotic Liquid Crystals by EPR Spectroscopy with a Rigid-Core Nitroxide Spin Probe
Angew. Chem. Int. Ed., 52, 34, 8917, 2013
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
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
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)
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.
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.
Computational approaches for simulating motional EPR spectra, Oganesyan, V. S., Electron Paramagnetic Resonance. Gilbert, B., Chechik, V. & Murphy, D. (eds.). Royal Society of Chemistry, Vol. 24. p. 32-61, 2015, DOI: 10.1039/9781782620280
- 2017- Reader in Computational Chemistry, School of Chemistry, University of East Anglia
- 2012- Senior Lecturer in Computational Chemistry, School of Chemistry, University of East Anglia
- 2007-2012 Lecturer in Computational Chemistry, School of Chemistry, University of East Anglia
- 2004-2009 EPSRC Advanced Research Fellow, School of Chemical Sciences & Pharmacy, University of East Anglia
- 2000-2004 Senior Research Fellow, School of Chemical Sciences and Pharmacy, UEA
- 1997-2000 Postdoctoral researcher, School of Chemical Sciences and Pharmacy, UEA, supervisor Prof. A.J. Thomson)
A broad range of topics in Physical, Theoretical and Computational chemistry.
Key Research Interests
The group led by Dr Vasily Oganesyan focuses on the development of theoretical and computational methods for modeling chemical and biological molecular systems and for the simulation and analysis of data from various advanced spectroscopic techniques (EPR, MCD, NIS, MuSR). Developments in theory are combined with the application of both DFT electronic structure calculation approaches and Molecular Dynamics (MD) simulations.The devised methods have been applied to analyses of metalloproteins, model bio-inorganic complexes, spin labelled proteins, spin doped liquid crystals, molecular nano-magnets and free radicals.
Vasily’s current research concerns with the application of MD modelling combined with EPR spectroscopy with spin labels and probes to different complex molecular systems. This work is based on the novel theoretical/computational approaches developed by Vasily for the prediction and analysis of EPR spectra directly from MD simulations of actual molecular structures. It was demonstrated that a unique combination of atomistic MD simulations and the sensitivity of EPR provide a new level of detail for molecular motions and order in complex systems. This MD-EPR approach simplifies the interpretation and analysis of experimental results and provides a rigorous test bed for the predictions from molecular modelling.
The group performs state-of-the-art MD simulations and apply the MD-EPR methodology to spin labelled proteins and peptides as well as to soft matter systems with doped spin probes such as liquid crystals and lipid bilayers. In order to test predictions EPR experimental measurements are carried out in a broad range of temperatures (100K<T<600K). Variable temperature EPR experiments are preformed using the Bruker digital temperature control system, available in the group and funded by EPSRC, which is interfaced with EMX spectrometer. One of the aims is to explore the changes in the order and dynamics of molecules along the phase transitions regions of various soft matter systems under different composition.
A novel generic method for prediction of spectral line shapes from Molecular Dynamics modelling: Application to EPR
2017 - 2019
Molecular Dynamics and EPR spectroscopy on lipid bilayers: new approaches to study biological membranes
2014 - 2019
The Leverhulme Trust
Molecular Dynamics and EPR spectroscopy: new structural tools in Biology.
Bridging the gap between Molecular Dynamics and EPR: Application to Liquid Crystal Systems.
VS Oganesyan, Prof MR Wilson (Durham)
Advanced Research Fellowship: New ways to probe chemical structure and dynamics using multi-frequency pulsed EPR.
Rotational optic lattice modes in NIS spectroscopy of molecules containing off centre iron atoms.
UA Jayasooriya and VS Oganesyan
“NIS Spectroscopy of iron Uptake Proteins Found in Pathogenic Neisserial Bacteria”
Grant for International Outgoing Visit – collaboration with Japan
International Outgoing Visit
- Member of the School Exam Board (since 2009)
- Member of the School Teaching Executive Committee (since 2010)
Research Group or Lab Membership
Senior Research Associates:
Dr Leonid Patrikeev
Dr Joanna Szala-Bilnik
Dr Robert Penfold
MSc by Research students:
Former Group Members:
Dr Simon Tyrrell
Dr Fatima Chami
Dr Jamie Peck
Dr Andrea Catte
Former MChem Students:
- Science (General)
- Theoretical and computational chemistry
- Soft matter
- Electron Paramagnetic Resonance (EPR)
- Spin labelled proteins
- Molecular modelling
- Molecular Dynamics simulations
- Electronic structure calculations
Dive into details
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- 7 Finished
Molecular dynamics and EPR spectroscopy: new structural tools for biology
1/10/10 → 27/06/13
Bridging the gap between Molecular Dynamics and EPR spectroscopy: Application to Liquid Crystal systems
Oganesyan, V. & Wilson, M.
Engineering and Physical Sciences Research Council
1/07/10 → 30/12/12
Ambient temperature MCD of Metalloproteins
Cheesman, M., Butt, J., Hemmings, A., Le Brun, N., Oganesyan, V., Richardson, D. & Thomson, A.
Biotechnology and Biological Sciences Research Council
31/08/07 → 30/08/08
Thermoelectric enhancement in single organic radical moleculesHurtado-Gallego, J., Sangtarash, S., Davidson, R., Rincón-García, L., Daaoub, A., Rubio-Bollinger, G., Lambert, C. J., Oganesyan, V. S., Bryce, M. R., Agraït, N. & Sadeghi, H., 24 Jan 2022, In: Nano Letters. 22, 3, p. 948-953 6 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile9 Citations (Scopus)2 Downloads (Pure)
DEER and RIDME measurements of the nitroxide-spin labelled copper-bound amine oxidase homodimer from Arthrobacter GlobiformisRussell, H., Stewart, R., Prior, C., Oganesyan, V. S., Gaule, T. G. & Lovett, J. E., Aug 2021, In: Applied Magnetic Resonance. 52, 8, p. 995–1015 21 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile7 Citations (Scopus)7 Downloads (Pure)
Regioisomeric family of novel fluorescent substrates for SHIP2White, G., Prior, C., Mills, S. J., Baker, K., Whitfield, H., Riley, A. M., Oganesyan, V. S., Potter, B. V. L. & Brearley, C. A., 12 Mar 2020, In: ACS Medicinal Chemistry Letters. 11, 3, p. 309-315 7 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile1 Citation (Scopus)8 Downloads (Pure)
Cobalt-based molecular electrocatalysis of nitrile reduction: evolving sustainability beyond hydrogenChild, S., Raychev, R., Moss, N., Howchen, B., Horton, P. N., Prior, C., Oganesyan, V. & Fielden, J., 14 Jul 2019, In: Dalton Transactions. 48, 26, p. 9576-9580
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile4 Citations (Scopus)24 Downloads (Pure)
All-atom molecular dynamics simulations of spin labelled double and single-strand DNA for EPR studiesPrior, C. C., Danilane, L. & Oganesyan, V. S., 21 May 2018, In: Physical Chemistry Chemical Physics. 20, 19, p. 13461-13472 12 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile7 Citations (Scopus)15 Downloads (Pure)
Frontiers in Molecular Biosciences (Journal)
Vasily Oganesyan (Associate Editor)14 Apr 2023 → …
Activity: Editorial work › Publication editorial role
Channel Talent masterclass event
Vasily Oganesyan (Speaker)22 Nov 2021
Activity: Participating in or organising an event › Schools engagement
Channel Talent masterclass event
Vasily Oganesyan (Speaker)4 Nov 2021
Activity: Participating in or organising an event › Schools engagement
EPSRC Peer Review College (External organisation)
Vasily Oganesyan (Member)2013
Activity: Membership › Peer review panel
Graduate School of Human and Environmental Studies, Kyoto University, Japan: 'Bringing together EPR spectroscopy with spin probes and computer modelling: A tool to study complex molecular systems'
Vasily Oganesyan (Invited speaker)2013
Activity: Participating in or organising an event › Invited talk