Dr. Igor A. Topol

SAIC-Frederick, Inc., Frederick National Laboratory for Cancer Research, Frederick, USA

Senior Scientist

Email: topoli@mail.nih.gov

Qualifications

1988 D.Sc., Department of Chemistry, Moscow State University, Russia

1973 Ph.D.,  Department of Chemistry, Leipzig University, Germany

1968 M.Sc., Department of Physics, Rostov State University, Rostov-on-Don, Russia

Publications(Selected)

1. I. Topol, J.  Collins, V. Mironov, A. Savitsky, A. Nemukhin, Modeling Absorption of the Kindling Fluorescent Protein with the Neutral Form of the Chromophore, Intern. J. Quantum Chem., 112:2947-2951  2012.
2. I. Topol, J. Collins, A. Savitsly, A. Nemukhin, Computational strategy for tuning spectral properties of red fluorescent proteins, Biophys. Chem., 158: 91-95  2011.
3. I. Topol, J. Collins, A. Nemukhin, Modeling spectral tuning in monomeric teal fluorescent proteinmTFP1, Biophys. Chem., 149: 78-82  2010.
4. I. Topol, J. Collins, I. Polyakov, B. Grigorenko, A. Nemukhin, On photoabsorption of the neutral form of  the green fluorescent protein chromophore, Biophys. Chem., 145: 1-6  2009.
5. proteinaM. Kaszmarek, R. E. Cachau, I.A. Topol, K.S. Kasprzak, A. Ghio, and K. Salnikow, Metal ion-Stimulated iron oxidation in hydroxylases facilitates stabilization of HIF-1. Toxicological Sciences, 107: 394-403  2009.
6. A.V. Nemukhin, I.A. Topol, B.L. Grigorenko, A.P. Savitsky, J.R. Collins, Conformation dependence of pKa’s of the chromophores from the purple asFP595 and yellow zFP538 fluorescent proteins. Journal of Molecular Structure: THEOCHEM, 863:  39-43, 2008.
7. B.L. Grigorenko, M.S. Shadrina, I.A. Topol, J.R. Collins, A.V. Nemukhin, Mechanism of the chemical step for the guanosine triphosphate (GTP) hydrolysis catalyzed by elongation factor Tu. . Biochimica et Biophysica Acta, 1784: 1908-1917  2008.
8. B.L. Grigorenko, A.V. Nemukhin, M.S. Shadrina, I.A. Topol, and S.K. Burt, On the mechanisms of guanosine triphosphate hydrolysis by Ras and Ras-GAP proteins as rationalized by ab initio QM/MM simulations, Proteins: Structure, Function,  and Bioinformatics., 66: 456-466  2007.
9. B.L. Grigorenko, A.V. Rogov, I.A. Topol, S.K. Burt, H.M. Martinez, and A.V. Nemukhin, Mechanism of the myosin catalyzed hydrolysis of ATP as rationalized by molecular modeling, PNAS, 104: 7057-7061  2007.
10. A.V. Nemukhin, I.A. Topol, S.K. Burt, Electronic excitations of the chromophore from the fluorescent protein asFP595 in solutions. J. Chem. Theory and Comput. , 2: 292-299,2006.
11. I.A. Topol, A.V. Nemukhin, K. Salnikow, R.E. Cachau, Y.G. Abashkin, K.S. Kasprzak, S.K. Burt, Quantum Chemical Modeling of Reaction Mechanism for 2-Oxoglutarate Depending Enzymes: An Effect of  Substitution of Iron by Nickel and Cobalt, J. Phys. Chem. A, 110: 4223-4228  2006.
12. B.L. Grigorenko, A.V. Nemukhin, I.A. Topol, R.E. Cachau, and S.K. Burt. QM/MM Modeling the Ras-GAP Catalized Hydrolysis of Guanosine Triphosphate. Proteins: Structure, Function,  and  Bioinformatics, 60:  495-503  2005.
13. B.L. Grigorenko, A.V. Nemukhin, R.E. Cachau, I.A. Topol, and S.K. Burt, Computational study of  a transition state analog of phosphoryl transfer in the Ras-RasGap Complex: AlFx vs MgF3-.  J. Molec. Modeling 11: 503-508  2005.
14. I.A. Topol, R.E. Cachau, A.V. Nemukhin, B.L. Grigorenko, and S.K. Burt, Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex, Biochim.Biophys.Acta. 1700:  125-136  2004.