Barbara M. (Janik) Poliks Jagiellonian University, Poland. Jagiellonian University, Poland Research Associate Professor M. S. Ph.D. 1976 1982 physics physics A. Positions and employment 1976-7 1977-8 Fall 1980 1982-7 1985-6 1987-9 1993-6 1996-2007 2007- Teaching Assistant, Institute of Physics, Jagiellonian University. Research Fellow, Kernforschungsanlage, Jülich, West Germany Visiting Scientist, University of Wales, Aberystwyth, Great Britain Research Fellow, Institute of Nuclear Physics, Krakow, Poland Post-doctoral Fellow, University of Connecticut, Storrs. Research Associate, Departments of Biological Chemistry, Cell Biology and Physiology, Washington University, St. Louis. Research Associate , Chemistry Department, SUNY, Binghamton, Research Foundation. Visiting Assistant Professor, Physics Department, Binghamton University, NY 13902 Research Associate Professor, Physics Department, Binghamton University, NY 13902 B. Research interests. My scientific interest is in structure and dynamics of liquids, liquid crystals, molecular crystals and polymers. My research has included studies of simple liquids (like chloroform) and complicated biological structures like 1-MDa capsid of lumazine synthase. During the last decade my research has focused on proteins, linear and branched polymers (polycarbonates) , dendrimers, spherical nanoparticles. The main “tools” for these structural studies have been the molecular dynamics and mechanics using Materials Studio from Accelrys of San Diego and AMBER from The Scripps Research Institute. In my research I have combined the information obtained in X-ray , NMR and fluorescence experiments to model systems such as: protein binding sites of ligands ( for instance: paclitaxel and colchicine in tubulin, fluorolumazine in lumazine synthase), phenyl-polycarbonates showing local ordering of their chains, and small molecules like cholesterol absorbed in shell cross-linked spherical nanoparticles. The dynamics studies of these system in several nanosecond time scale have become possible for me at the beginning of 2008 when I obtained an access to the NYSGrid via the Center for Computational Research at SUNY – Buffalo. Since summer 2008 I have become involved in the computational studies of heat flows in the composite thermal interface materials (TIMs). The tool for these studies is LAMMPS Molecular Dynamics Simulator distributed by Sandia National Laboratories. These simulations have been performed on NYSGrid and TeraGrid. C. Selected peer-reviewed publications (in chronological order). 1. Timmins, P.M, Poliks, B. and Banaszak, L. "The Location of Bound Lipid in the Lipovitellin Complex", Science July 31,1992; 257: 652-655; 2. Chen, L., Durley, R., Poliks, B.,Hamada, K.,Chen, Z., Mathews, F.S., Davidson,V., Saton, Y.,Huizinga, E.,Vellieux, F., Hol, W. "Crystal Structure of an Electron-Transfer Complex between Methylamine Dehydrogenase and Amicyanin", Biochemistry 1992; 31(21):4959-4964; 3. Goetz, J.M., Poliks, B., Studelska, D.R., Fischer, M.,Kugelgrey, K. Bacher, A., Cushman, M., Schaefer,J. “Investigation of the Binding of Certain Fluorolumazines to Lumazine Synthase by 15N{19F} REDOR NMR”, JACS 1999; 121 (31):7500-7508; 4. Yankun Li, Poliks, B., Cegelski, L., Poliks, M., Gryczynski, Z., Piszczek, G., Jagtap, P.G., Studelska, D.J., Kingston, D.G.I., Schaefer, Bane, S. “The Conformation of Microtubule-Bound Paclitaxel Determined by Fluorescence Spectroscopy and REDOR NMR”, Biochemistry 2000; 39(2):281-291; 5. Hsien-Ming Kao, O’Connor, R.D., Mehta, A.K., Halyong Huang, Poliks, B. Wooley, K.L. and Schaefer, J. “Location of Cholic Acid Sequestered by Core- Shell Nanoparticles Using REDOR NMR.”, Macromolecules 2001; 34(3): 544-546; 6. O’Connor, R.D., Poliks, B., Bolton, D.H., Goetz, J.M., Byers, J.A., Wooley, K. and Schaefer, J. “Chain Packing in Linear PhenolPolycarbonate by 13C{2H} REDOR.” , Macromolecules 2002; 35(7): 2608-2617; 7. McDowell, L.M., McCarrick, M.A., Studelska, D.R., O’Connor, R.D., Light, D.R., Guilford, W.J., Arnaiz, D., Dallas, J. L., Poliks, B., Schaefer, J., “Human Factor Xa-Bound Amidine Inhibitor Conformation by Double REDOR NMR and MD Simulations.”, J. Med. Chem. 2003; 46(3): 359-363; 8. Bolton, D.H., Goetz, J.M., Gan D.,Byers J.A., Poliks, B., Wooley, K.L., Schaefer, J., “Chain Dynamics in Linear and Hyperbranched Polycarbonates.” ,Macromolecules 2003 ; 36(7):2368-2373. 9. McDowell, L.M., Poliks, B., Studelska, D.R., O’Connor, R.D., Beusen, D.D., „Rotational-Echo Double_Resonance NMRrestrained Model of the Ternary Complex of 5 enolpyruvylshikimate-3-phosphate synthase.”, J. Biomolecular NMR , 2004, 28: 11-29; 10. McDowell,L.M., Studelska, D.R., Poliks, B., O’Connor, R.D., Schaefer, J., “Characterization of the Complex of a Trifluoromethyl- Substituted Shikimate-Based Bisubstrate Inhibitor and 5-Enolpyruvylshikimate-3-phosphate Synthase by REDOR NMR” , Biochemistry, 2004, 43: 6606 – 6611; 11. Jiang, Y.L., McDowell, L.M., Poliks, B., Studelska, D.R., Cao C., Potter, G.S., Schaefer, J., Song F., Stivers, J.T. „Recognition of an Unnatural Difluorophenyl Nucleotide by Uracil DNA Glycosylase.”, Biochemistry 2004, 43(49): 15429-15438; 12. Paik Younkee, Poliks, B., Rusa, C.C., Tonelli, A.E., Schaefer, J., “Molecular Motion of Polycarbonate Included in γ-Cyclodextrin.”, J. Pol. Sc. B, Polymer Physics, 2007, 45(11), 1271 – 1282; 13. Yu, Tsyr-Yan, O'Connor, R.D. , Sivertsen, A.C., Chiauzzi. C., Poliks, B., Fischer, M., Bacher, A., Haase, I. , Cushman, M. and Schaefer, J., “ 15N{31P} REDOR NMR Studies of the Binding of Phosphonate Reaction Intermediate Analogues to Saccharomyces cerevisiae Lumazine Synthase”, Biochemistry 2008, 47(52), 13942-13951; 14. Sharma Shubhada, Poliks, B., Chiauzzi, C., Ravindra, R., Blanden, A.R., Bane, S., “Characterization of the Colchicine Binding Site on Avian Tubulin Isotype βVI.”, Biochemistry 2010, 49(13), 29322942; 15. Cegelski, L, O’Connor, R.D., Stueber, D., Singh, M., Poliks B., Schaefer J., “Plant Cell-Wall Cross-Links by REDOR NMR Spectroscopy”, JACS 2010, 132(45), 16052-16057. D. Undergraduat Honors Thesis Advising 1. Colby Chiauzzi : “Determining the Binding Geometry of Pentameric Lumazine Synthase with a Phosphonate Intermediate Analogue by Computer Simulations” – defended in May 2008 ( Honors in Physics).