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  1. 1.   Higher Levels of CRP, D-dimer, IL-6, and Hyaluronic Acid Before Initiation of Antiretroviral Therapy (ART) Are Associated With Increased Risk of AIDS or Death
  2. Boulware, D. R.; Hullsiek, K. H.; Puronen, C. E.; Rupert, A.; Baker, J. V.; French, M. A.; Bohjanen, P. R.; Novak, R. M.; Neaton, J. D.; Sereti, I.; Grp, I. S.
  3. Journal of Infectious Diseases. 2011, Jun; 203(11): 1637-1646.
  1. 2.   Solvent-Induced Shifts in Electronic Spectra of Uracil
  2. DeFusco, A.; Ivanic, J.; Schmidt, M. W.; Gordon, M. S.
  3. Journal of Physical Chemistry A. 2011, May; 115(18): 4574-4582.
  1. 3.   Distribution of Xenotropic Murine Leukemia Virus-Related Virus (XMRV) Infection in Chronic Fatigue Syndrome and Prostate Cancer
  2. Mikovits, J. A.; Huang, Y.; Pfost, M. A.; Lombardi, V. C.; Bertolette, D. C.; Hagen, K. S.; Ruscetti, F. W.
  3. Aids Reviews. 2010, Jul-Sep; 12(3): 149-152.
  1. 4.   Conformationally rigid nucleoside probes help understand the role of sugar pucker and nucleobase orientation in the thrombin-binding aptamer
  2. Saneyoshi, H.; Mazzini, S.; Avino, A.; Portella, G.; Gonzalez, C.; Orozco, M.; Marquez, V. E.; Eritja, R.
  3. Nucleic Acids Research. 2009 37(17): 5589-5601.
  1. 5.   Conformations of proline analogues having double bonds in the ring
  2. Flores-Ortega, A.; Casanovas, J.; Zanuy, D.; Nussinov, R.; Aleman, C.
  3. Journal of Physical Chemistry B. 2007, May; 111(19): 5475-5482.
  1. 6.   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. 7.   Comparison of large basis set DFT and MP2 calculations in the study of the barrier for internal rotation of 2,3,5,6-tetrafluoroanisole
  2. Kieninger, M.; Cachau, R. E.; Oberhammer, H.; Ventura, O. N.
  3. International Journal of Quantum Chemistry. 2007, Feb; 107(2): 403-417.
  1. 8.   A new perspective in the Lewis acid catalyzed ring opening of epoxides. Theoretical study of some complexes of methanol, acetic acid, dimethyl ether, diethyl ether, and ethylene oxide with boron trifluoride
  2. Saenz, P.; Cachau, R. E.; Seoane, G.; Kieninger, M.; Ventura, O. N.
  3. Journal of Physical Chemistry A. 2006, Oct; 110(41): 11734-11751.
  1. 9.   Molecular modeling the reaction mechanism of serine-carboxyl peptidases
  2. Bravaya, K.; Bochenkova, A.; Grigorenko, B.; Topol, I.; Burt, S.; Nemukhin, A.
  3. Journal of Chemical Theory and Computation. 2006, Jul; 2(4): 1168-1175.
  1. 10.   The stability of monomeric intermediates controls amyloid formation: A beta 25-35 and its N27Q mutant
  2. Ma, B. Y.; Nussinov, R.
  3. Biophysical Journal. 2006, May; 90(10): 3365-3374.
  1. 11.   Serotype-selective, small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A
  2. Park, J. G.; Sill, P. C.; Makiyi, E. F.; Garcia-Sosa, A. T.; Millard, C. B.; Schmidt, J. J.; Pang, Y. P.
  3. Bioorganic & Medicinal Chemistry. 2006, Jan; 14(2): 395-408.
  1. 12.   Protein-protein interactions: organization, cooperativity and mapping in a bottom-up Systems Biology approach
  2. Keskin, O.; Ma, B. Y.; Rogale, K.; Gunasekaran, K.; Nussinov, R.
  3. Physical Biology. 2005, JUN; 2(2): S24-S35.
  1. 13.   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. 14.   Long-range ordering in water-halide ion interactions: A database study
  2. Prabakaran, P.; Singarayan, M. G.
  3. Chemistry Letters. 2004, DEC 5; 33(12): 1640-1641.
  1. 15.   Classification of ATP-dependent proteases Lon and comparison of the active sites of their proteolytic domains
  2. Rotanova, T. V.; Melnikov, E. E.; Khalatova, A. G.; Makhovskaya, O. V.; Botos, I.; Wlodawer, A.; Gustchina, A.
  3. European Journal of Biochemistry. 2004, DEC; 271(23-24): 4865-4871.
  1. 16.   A robust measure of HIV-1 population turnover within chronically infected individuals
  2. Achaz, G.; Palmer, S.; Kearney, M.; Maldarelli, F.; Mellors, J. W.; Coffin, J. M.; Wakeley, J.
  3. Molecular Biology and Evolution. 2004, OCT; 21(10): 1902-1912.
  1. 17.   Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model
  2. Kohanoff, J. J.; Cachau, R. E.
  3. Molecular Physics. 2004, MAY 10; 102(9-10): 1007-1014.
  1. 18.   Prostate pathology of genetically engineered mice: Definitions and classification. The consensus report from the bar harbor meeting of the mouse models of human cancer consortium prostate pathology committee
  2. Shappell, S. B.; Thomas, G. V.; Roberts, R. L.; Herbert, R.; Ittmann, M. M.; Rubin, M. A.; Humphrey, P. A.; Sundberg, J. P.; Rozengurt, N.; Barrios, R.; Ward, J. M.; Cardiff, R. D.
  3. Cancer Research. 2004 64(6): 2270-2305.
  1. 19.   The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4)
  2. Merrill, G. N.; Webb, S. P.
  3. Journal of Physical Chemistry A. 2004 108(5): 833-839.
  1. 20.   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. 21.   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. 22.   Theoretical studies on the hydrolysis of mono-phosphate and tri-phosphate in gas phase and aqueous solution
  2. Wang, Y. N.; Topol, I. A.; Collins, J. R.; Burt, S. K.
  3. Journal of the American Chemical Society. 2003 125(43): 13265-13273.
  1. 23.   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. 24.   Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory
  2. Perczel, A.; Farkas, O.; Jakli, I.; Topol, I. A.; Csizmadia, I. G.
  3. Journal of Computational Chemistry. 2003 24(9): 1026-1042.
  1. 25.   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.
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