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  1. 1.   Assessing drug-induced long QT and proarrhythmic risk using human stem cell-derived cardiomyocytes in a Ca2+ imaging assay: Evaluation of 28 CiPA compounds at three test sites
  2. Lu, Hua Rong; Zeng, Haoyu; Kettenhofen, Ralf; Guo,Liang; Kopljar, Ivan; van Ammel, Karel; Tekle, Fetene; Teisman, Ard; Zhai, Jin; Clouse, Holly; Pierson, Jennifer; Furniss, Michael; Lagrutta, Armando; Sannajust, Frederick; Gallacher, David J
  3. Toxicological sciences : an official journal of the Society of Toxicology. 2019, AUG; 170(2): 345-356.
  1. 2.   Coarse-graining RNA nanostructures for molecular dynamics simulations
  2. Paliy, M.; Melnik, R.; Shapiro, B. A.
  3. Physical Biology. 2010, Sep; 7(3): 12.
  1. 3.   Why Does Binding of Proteins to DNA or Proteins to Proteins Not Necessarily Spell Function?
  2. Ma, B. Y.; Tsai, C. J.; Pan, Y. P.; Nussinov, R.
  3. Acs Chemical Biology. 2010, Mar; 5(3): 265-272.
  1. 4.   Mechanism of the myosin catalyzed hydrolysis of ATP as rationalized by molecular modeling
  2. Grigorenko, B. L.; Rogov, A. V.; Topol, I. A.; Burt, S. K.; Martinez, H. M.; Nemukhin, A. V.
  3. Proceedings of the National Academy of Sciences of the United States of America. 2007, Apr; 104(17): 7057-7061.
  1. 5.   Modeling dioxygen binding to the non-heme iron-containing enzymes
  2. Nemukhin, A. V.; Grigorenko, B. L.; Topol, I. A.; Burt, S. K.
  3. International Journal of Quantum Chemistry. 2006, Aug; 106(10): 2184-2190.
  1. 6.   Astrocytes promote myelination in response to electrical impulses
  2. Ishibashi, T.; Dakin, K. A.; Stevens, B.; Lee, P. R.; Kozlov, S. V.; Stewart, C. L.; Fields, R. D.
  3. Neuron. 2006, Mar; 49(6): 823-832.
  1. 7.   Antitumor activity and distribution of pyrroloiminoquinones in the sponge genus Zyzzya
  2. Dijoux, M. G.; Schnabel, P. C.; Hallock, Y. F.; Boswell, J. L.; Johnson, T. R.; Wilson, J. A.; Irel, C. M.; van Soest, R.; Boyd, M. R.; Barrows, L. R.; Cardellina, J. H.
  3. Bioorganic & Medicinal Chemistry. 2005, NOV 1; 13(21): 6035-6044.
  1. 8.   Ex vivo expanded murine bone marrow cells with a multiple cytokine cocktail retain long-term hematopoietic reconstitution potentials
  2. Yang, Q. E.; Fong, S. E.; Li, K. G.; Gonda, M. A.; Tobin, G. J.
  3. Medical Science Monitor. 2005, JUN; 11(6): BR154-BR161.
  1. 9.   Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method
  2. Nemukhin, A. V.; Grigorenko, B. L.; Rogov, A. V.; Topol, I. A.; Burt, S. K.
  3. Theoretical Chemistry Accounts. 2004 111(1): 36-48.
  1. 10.   Cancer-specific ligands identified from screening of peptide-display libraries
  2. Mori, T.
  3. Current Pharmaceutical Design. 2004 10(19): 2335-2343.
  1. 11.   Direct configuration interaction and multiconfigurational self- consistent-field method for multiple active spaces with variable occupations. II. Application to oxoMn(salen) and N2O4
  2. Ivanic, J.
  3. Journal of Chemical Physics. 2003 119(18): 9377-9385.
  1. 12.   Dimensional change as a function of charge injection in graphite intercalation compounds: A density functional theory study
  2. Sun, G. Y.; Kertesz, M.; Kurti, J.; Baughman, R. H.
  3. Physical Review B. 2003 68(12): art. no.-125411.
  1. 13.   Flexible effective fragment QM/MM method: Validation through the challenging tests
  2. Nemukhin, A. V.; Grigorenko, B. L.; Topol, I. A.; Burt, S. K.
  3. Journal of Computational Chemistry. 2003 24(12): 1410-1420.
  1. 14.   A QM/MM approach with effective fragment potentials applied to the dipeptide-water structures
  2. Nemukhin, A. V.; Grigorenko, B. L.; Bochenkova, A. V.; Topol, I. A.; Burt, S. K.
  3. Journal of Molecular Structure-theochem. 2002 581: 167-175.
  1. 15.   Stray Cu(II) may cause oxidative damage when coordinated to the -TESHHK- sequence derived from the C-terminal tail of histone H2A
  2. Mylonas, M.; Malandrinos, G.; Plakatouras, J.; Hadjiliadis, N.; Kasprzak, K. S.; Krezel, A.; Bal, W.
  3. Chemical Research in Toxicology. 2001 14(9): 1177-1183.
  1. 16.   Hydrogen bonding at the diatomics-in-molecules level: Water clusters
  2. Grigorenko, B. L.; Nemukhin, A. V.; Topol, I. A.; Burt, S. K.
  3. Journal of Chemical Physics. 2000 113(7): 2638-2647.
  1. 17.   Molecular polarizabilities and induced dipole moments in molecular mechanics
  2. Ma, B. Y.; Lii, J. H.; Allinger, N. L.
  3. Journal of Computational Chemistry. 2000 21(10): 813-825.
  1. 18.   Collective motions in HIV-1 reverse transcriptase: Examination of flexibility and enzyme function
  2. Bahar, I.; Erman, B.; Jernigan, R. L.; Atilgan, A. R.; Covell, D. G.
  3. Journal of Molecular Biology. 1999 285(3): 1023-1037.
  1. 19.   Binding of the Nucleocapsid Protein of Type 1 Human Immunodeficiency Virus to Nucleic Acids Studied Using Phosphorescence and Optically Detected Magnetic Resonance
  2. Wu, J. Q.; Ozarowski, A.; Maki, A. H.; Urbaneja, M. A.; Henderson, L. E.; Casasfinet, J. R.
  3. Biochemistry. 1997 36(41): 12506-12518.
  1. 20.   Importance of Effective Charges in the Analysis of Electron-Conformational Interactions in Peptides
  2. Shaitan, K. V.; Nemukhin, A. V.; Firsov, D. A.; Bogdan, T. V.; Topol, I. A.
  3. Molecular Biology. 1997 31(1): 90-97.
  1. 21.   Identification of Cooperative Folding Units in a Set of Native Proteins
  2. Wallqvist, A.; Smythers, G. W.; Covell, D. G.
  3. Protein Science. 1997 6(8): 1627-1642.
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