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Education: Post-doctoral Training The Scripps Research Institute (TSRI), La Jolla -- Comp. Chemistry Graduate Training Moscow Institute of Physics and Technology (MIPT) and Undergraduate Training Moscow Engineering Physics Institute (MEPhI) -- Dipl.-Ing. Biophysics Research Interests:
Recent Publications: Lopes, P.E.M., Demchuk, E. & MacKerell, A.D. (2008) Reconstruction of the alpha-quartz (011) surface: a first-principles study -- Int. J. Quantum Chem. 108, in press Demchuk, E., Ruiz, P., Wilson, J.D., Scinicariello, F., Pohl, H.R., Fay, M., Mumtaz, M., Hansen, H. & De Rosa, C.T. (2008) Computational toxicology methods in public health practice -- Toxicol. Mech. Method. 18, 119 Snyder, J.A., Demchuk, E., McCanlies E.C., Schuler, C.R., Kreiss, K., Frye, B., Ensey, J., Stanton, M. & Weston, A. (2008) Impact of negatively charged patches on the surface of MHC class II antigen-presenting proteins on risk of chronic beryllium disease -- J. R. Soc. 5, 749 Demchuk, E., Yucesoy, B., Johnson, V.J., Weston, A., Germolec, D.R., De Rosa, C.T. & Luster, M.I. (2007) A statistical model to assess genetic susceptibility as a risk factor in multifactorial diseases: Lessons from occupational asthma -- Environ. Health Persp. 115, 231 Hnizdo, V., Darian, E., Fedorowicz, A., Demchuk, E., Li, S. & Singh, H. (2007) Nearest-neighbor nonparametric method for estimating the configurational entropy of complex molecules -- J. Comp. Chem. 28, 655 Murashov, V., Harper, M. & Demchuk, E. (2006) Impact of silanol surface density on the toxicity of silica aerosols measured by erythrocyte haemolysis. -- J. Occup. Environ. Hyg. 3, 718 Lopes, P.E.M., Murashov, V.V., Tazi, M., Demchuk, E. & MacKerell, A.D. (2006) Development of an empirical force field for silica. Application to the quartz-water interface -- J. Phys. Chem. 110, 2782 Weston, A., Snyder, J.A., McCanlies E.C., Schuler, C.R., Andrew, M.E., Kreiss, K. & Demchuk, E. (2005) Immunogenetic factors in beryllium sensitization and chronic beryllium disease -- Mutat. Res. 592, 68 Fedorowicz, A., Singh, H., Soderholm, S.C. & Demchuk, E. (2005) Structure-Activity models for contact sensitization -- Chem. Res. Toxicol. 18, 954 Darian, E., Hnizdo, V., Fedorowicz, A., Singh, H. & Demchuk, E. (2005) Absolute internal-rotational entropies of molecules with two torsional degrees of freedom -- J. Comp. Chem. 26, 651 Misra, N., Singh, H. & Demchuk, E. (2005) Estimation of the entropy of a multivariate normal distribution -- J. Mult. Anal. 92, 324 Murashov, V.V. & Demchuk, E. (2005) Fracture and unreconstructed surface energies of tetrahedral silica polymorphs and silicate -- Surf. Sci. 595, 6 Murashov, V.V. & Demchuk, E. (2005) A comparative study of unrelaxed surfaces on quartz and kaolinite using the periodic density functional theory -- J. Phys. Chem. 109, 10835 Fedorowicz, A., Zheng, L., Singh, H. & Demchuk, E. (2004) QSAR study of skin sensitization using Local Lymph Node Assay data -- Int. J. Mol. Sci. 5, 55 Wang, Y., Rao, K.M.K. & Demchuk, E. (2003) Topographical organization of the N-terminal segment of lung pulmonary surfactant protein B in a phospholipid bilayer determined by fluorescence quenching -- Biophys. J. 84, 54 Hnizdo, V., Fedorowicz, A., Singh, H. & Demchuk, E. (2003) Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulations -- J. Comp. Chem. 24, 1172 Wang, Y., Rao, K.M.K. & Demchuk, E. (2003) Topographical organization of the N-terminal segment of lung pulmonary surfactant protein B in phospholipid bilayers -- Biochemistry 42, 4015 Singh, H., Misra, N., Hnizdo, V., Fedorowicz, A. & Demchuk, E. (2003) Nearest neighbor estimates of entropy -- Am. J. Math. Manage. Sci. 23, 301 Snyder, J.A., Weston, A., Tinkle, S.T. & Demchuk, E. (2003) Electrostatic potential on human leukocyte antigen: Implications for putative mechanism of chronic beryllium disease -- Environ. Health Persp. Toxicogenomics 111, 1827 Thursday, 10-Jul-2008 1454 visitors since 11/18/05 |
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