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  1. 1.   Examining Ty3 polypurine tract structure and function by nucleoside analog interference
  2. Dash, C.; Marino, J. P.; Le Grice, S. F. J.
  3. Journal of Biological Chemistry. 2006, FEB 3; 281(5): 2773-2783.
  1. 2.   Use of non-adiabatic geometric phase for quantum computing by NMR
  2. Das, R.; Kumar, S. K. K.; Kumar, A.
  3. Journal of Magnetic Resonance. 2005, DEC; 177(2): 318-328.
  1. 3.   Computational study of a transition state analog of phosphoryl transfer in the Ras-RasGAP complex: AlFx versus MgF3
  2. Grigorenko, B. L.; Nemukhin, A. V.; Cachau, R. E.; Topol, I. A.; Burt, S. K.
  3. Journal of Molecular Modeling. 2005, NOV; 11(6): 503-508.
  1. 4.   Investigating HIV-1 polypurine tract geometry via targeted insertion of abasic lesions in the (-)-DNA template and (+)-RNA primer
  2. Yi-Brunozzi, H. Y.; Le Grice, S. F. J.
  3. Journal of Biological Chemistry. 2005, MAY 20; 280(20): 20154-20162.
  1. 5.   Chemistry of the diazeniumdiolates: Z reversible arrow E isomerism
  2. Wang, Y. N.; Bohle, D. S.; Bonifant, C. L.; Chmurny, G. N.; Collins, J. R.; Davies, K. M.; Deschamps, J.; Flippen-Anderson, J. L.; Keefer, L. K.; Klose, J. R.; Saavedra, J. E.; Waterhouse, D. J.; Ivanic, J.
  3. Journal of the American Chemical Society. 2005, APR 20; 127(15): 5388-5395.
  1. 6.   Homology model of the CDK1/cyclin B complex
  2. McGrath, C. F.; Pattabiraman, N.; Kellogg, G. E.; Lemcke, T.; Kunick, C.; Sausville, E. A.; Zaharevitz, D. W.; Gussio, R.
  3. Journal of Biomolecular Structure & Dynamics. 2005, APR; 22(5): 493-502.
  1. 7.   Design and synthesis of conformationally constrained Grb2 SH2 domain binding peptides employing alpha-methylphenylalanyl based phosphotyrosyl mimetics
  2. Oishi, S.; Karki, R. G.; Kang, S. U.; Wang, X. Z.; Worthy, K. M.; Bindu, L. K.; Nicklaus, M. C.; Fisher, R. J.; Burke, T. R.
  3. Journal of Medicinal Chemistry. 2005, FEB 10; 48(3): 764-772.
  1. 8.   In the quest for stable rescuing mutants of p53: Computational mutagenesis of flexible loop L1
  2. Pan, Y. P.; Ma, B. Y.; Venkataraghavan, R. B.; Levine, A. J.; Nussinov, R.
  3. Biochemistry. 2005, FEB 8; 44(5): 1423-1432.
  1. 9.   Evaluation of macrocyclic Grb2 SH2 domain-binding peptide mimetics prepared by ring-closing metathesis of C-terminal allylglycines with an N-terminal beta-vinyl-substituted phosphotyrosyl mimetic
  2. Oishi, S.; Karki, R. G.; Shi, Z. D.; Worthy, K. M.; Bindu, L.; Chertov, O.; Esposito, D.; Frank, P.; Gillette, W. K.; Maderia, M.; Hartley, J.; Nicklaus, M. C.; Barchi, J. J.; Fisher, R. J.; Burke, T. R.
  3. Bioorganic & Medicinal Chemistry. 2005 13(7): 2431-2438.
  1. 10.   (Salen)Mn(III) compound as a nonpeptidyl mimic of catalase: DFT study of the metal oxidation by a peroxide molecule
  2. Abashkin, Y. G.; Burt, S. K.
  3. Journal of Physical Chemistry B. 2004 108(8): 2708-2711.
  1. 11.   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. 12.   QM/MM modeling of the glutathione-hydroxymethyl radical reaction in watery
  2. Nemukhin, A. V.; Grigorenko, B. L.; Topol, I. A.; Burt, S. K.
  3. Physical Chemistry Chemical Physics. 2004 6(5): 1031-1038.
  1. 13.   PCR amplification of DNA containing non-standard base pairs by variants of reverse transcriptase from Human Immunodeficiency Virus-1
  2. Sismour, A. M.; Lutz, S.; Park, J. H.; Lutz, M. J.; Boyer, P. L.; Hughes, S. H.; Benner, S. A.
  3. Nucleic Acids Research. 2004 32(2): 728-735.
  1. 14.   Dimensional changes as a function of charge injection for trans-polyacetylene: A density functional theory study
  2. Sun, G. Y.; Kurti, J.; Kertesz, M.; Baughman, R. H.
  3. Journal of Chemical Physics. 2002 117(16): 7691-7697.
  1. 15.   De novo structural prediction of transition metal complexes: Application to technetium
  2. Buda, C.; Burt, S. K.; Cundari, T. R.; Shenkin, P. S.
  3. Inorganic Chemistry. 2002 41(8): 2060-2069.
  1. 16.   Salt bridge stability in monomeric proteins
  2. Kumar, S.; Nussinov, R.
  3. Journal of Molecular Biology. 1999 293(5): 1241-1255.
  1. 17.   Matrix isolation infrared and ab initio study of the 1 : 1 complexes of bromocyclopropane with NH3 and (CH3)(3)N: Evidence for a novel C-H center dot center dot center dot N hydrogen bond
  2. Bedell, B. L.; Goldfarb, L.; Mysak, E. R.; Samet, C.; Maynard, A.
  3. Journal of Physical Chemistry. 1999 103(23): 4572-4579.
  1. 18.   A theoretical study of excited state proton transfer in 3-hydroxychromone and related molecules
  2. Estiu, G.; Rama, J.; Pereira, A.; Cachau, R. E.; Ventura, O. N.
  3. Theochem-Journal of Molecular Structure. 1999 487(3): 221-230.
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