Maxim Fedorov
Professor of Physics and Life Sciences
Maxim Fedorov is SUPA2 Professor of Physics and Life Sciences. He is an expert in computational chemical physics and molecular biophysics. His research interests focus on modeling solvent mediated molecular interactions in macromolecules and nanobjects.
Before moving to Strathclyde in October 2011 Maxim Fedorov had been working as a Group Leader at the Max Planck Institute for Mathematics in the Sciences, in Leipzig, Germany. In 2010-2011 he was also appointed as external Privat-Dozent at the Department of Chemistry, University of Duisburg-Essen, Germany.
He received his Ph.D. degree at the Institute of Theoretical and Experimental Biophysics of the Russian Academy of Sciences, Pushchino, Russia, in 2002, in Biophysics with Prof. S.E. Shnoll, an expert in physical biochemistry. After his PhD he worked there as a researcher until the beginning of 2004 when he moved to the University College Dublin, Republic of Ireland, as a postdoc at the Department of Chemistry. In 2005 he moved to the University of Cambridge, UK, where he spent three years working at the Department of Chemistry as a Research Associate in the Unilever Centre for Molecular Science Informatics. In 2007 he received his Doctor of Sciences (Doktor Nauk) degree in Physical Chemistry from the Institute of Solution Chemistry of the Russian Academy of Sciences, Ivanovo, Russia. As a visiting scientist he worked at the University of Kassel in 2003 (with Prof. D. Kolb, as a DAAD scholar); Imperial College London in 2007 (with Prof. A.A. Kornyshev); and at the Institute of Protein Research of the University of Osaka in 2009 (with Prof. Y. Goto).
| e: maxim.fedorov 
strath.ac.uk | t: 0141 548 4012 | u: http://bcp.phys.strath.ac.uk/molecular-theory-and-simulations/
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Research
Maxim's current research interests include chemical physics and molecular biophysics with main focus on solvent and ion effects on biomolecules and nanoparticles. He is actively working in several interdisciplinary areas:
- computer modelling of molecular effects of solvent and cosolutes (ions, sugars etc) on biomacromolecular stability, dynamics and self-assembly
- computer modelling of physical-chemical properties of bioactive molecules (solubility, solvation free energy, partition coefficients etc)
- computer modelling of solvent and ion effects on dispersions of nanoparticles and properties of the electrical double layer at electrified nano-interfaces.
Highlights
Article with David Palmer Computational Drug Discovery: Predicting the Hydration Behaviour of De Novo Designed Pharmaceuticals, G.I.T Laboratory Journal, (2011), 1-2, 28-30
Article Towards a universal method for calculating hydration free energies: a 3D reference interaction site model with partial molar volume correction in the Journal of Physics: Condensed Matter (JPCM, 22, 492101) has been chosen for inclusion in IOP Select that reflects substantial advances and significant breakthroughs in the area of Physics of Condensed Matter
Top 5 cited paper of 2008 in Electrochimica Acta (Electrochim. Acta, 53, 6835)
Invited Professor Award to visit the University of Lille, France
American Institute of Physics press-release Where do the drugs go (J. Chem. Phys. 133, 044104)
Max-Planck Society press-release Die Wege der Moleküle, (J. Chem. Phys. 133, 044104)
Research Highlight by the Journal of Chemical Physics (J. Chem. Phys. 133, 044104)
International Scientific Visitor Award to visit the Institute for Protein Research, University of Osaka in Osaka
The effect of sodium chloride on poly-L-glutamate conformation (Chem. Commun. 8, 896) makes the front cover of Chemical Communications and was discussed in Chemical and Engineering News (C&E December 2008, 15th edition, p29)
Selected publications
D.S.Palmer, A.I.Frolov, E.L.Ratkova, M.V.Fedorov, "Toward a Universal Model To Calculate the Solvation Thermodynamics of Druglike Molecules: The Importance of New Experimental Databases", Mol. Pharm. 8, 1423-1429 (2011) doi: 10.1021/mp200119r
E.L.Ratkova, M.V.Fedorov, "Combination of RISM and Cheminformatics for Efficient Predictions of Hydration Free Energy of Polyfragment Molecules: Application to a Set of Organic Pollutants", J. Chem. Theory Comput. 7, 1450-1457 (2011) doi: 10.1021/ct100654h
V.P.Sergiievskyi, W.Hackbusch, M.V.Fedorov, "Multigrid Solver for the Reference Interaction Site Model of Molecular Liquids Theory", J. Comput. Chem. 32, 1982-1992 (2011) doi: 10.1002/jcc.21783
S.Kondrat, N.Georgi, M.V.Fedorov, A.A.Kornyshev, "A superionic state in nano-porous double-layer capacitors: insights from Monte Carlo simulations", Phys. Chem. Chem. Phys. 13, 11359-11366 (2011) doi: 10.1039/c1cp20798a
M.V.Fedorov, J.M.Goodman, D.Nerukh, S.Schumm, "Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesis", Phys. Chem. Chem. Phys. 13, 2294-2299 (2011) doi: 10.1039/c0cp01705a
M.V.Fedorov, R.N.Arif, A.I.Frolov, M.Kolar, A.O.Romanovaa, A.G.Rozhin, "Salting out in organic solvents: a new route to carbon nanotube bundle engineering", Phys. Chem. Chem. Phys. 13, 12399-12402 (2011) doi: 10.1039/c1cp21440c
A.I.Frolov, E.L.Ratkova, D.S.Palmer, M.V.Fedorov, "Hydration Thermodynamics Using the Reference Interaction Site Model: Speed or Accuracy?", J. Phys. Chem. B 115, 6011-6022 (2011) doi: 10.1021/jp111271c
M.V.Fedorov, N.Georgi, A.A.Kornyshev, "Double layer in ionic liquids: The nature of the camel shape of capacitance", Electrochem. Commun. 12, 296-299 (2010) doi: 10.1016/j.elecom.2009.12.019
I.V.Terekhova, A.O.Romanova, R.S.Kumeev, M.V.Fedorov, "Selective Na(+)/K(+) Effects on the Formation of alpha-Cyclodextrin Complexes with Aromatic Carboxylic Acids: Competition for the Guest", J. Phys. Chem. B 114, 12607-12613 (2010) doi: 10.1021/jp1063512
E.L.Ratkova, G.N.Chuev, V.P.Sergiievskyi, M.V.Fedorov, "An Accurate Prediction of Hydration Free Energies by Combination of Molecular Integral Equations Theory with Structural Descriptors", J. Phys. Chem. B 114, 12068-12079 (2010) doi: 10.1021/jp103955r
A.I.Frolov, A.G.Rozhin, M.V.Fedorov, "Ion Interactions with the Carbon Nanotube Surface in Aqueous Solutions: Understanding the Molecular Mechanisms", ChemPhysChem 11, 2612-2616 (2010) doi: 10.1002/cphc.201000231
D.S.Palmer, V.P.Sergiievskyi, F.Jensen, M.V.Fedorov, "Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model", J. Chem. Phys. 133, 044104 (2010) doi: 10.1063/1.3458798
Current Grants
Maxim Fedorov, , , , ,
EU (2012-2014) £163848
Title: IETSOL Calculation of Pharmacokinetic Properties of Druglike Molecules using Integral Equation Theory
Maxim Fedorov, , , , ,
Non Applicable (2012-2013) £0
Title: Professor's Fund - Professor Maxim Fedorov
