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  1. 1.   Theoretical classification of exchange geometries from the perspective of NMR relaxation dispersion
  2. Chao,Fa-An; Zhang,Yue; Byrd,Robert
  3. Journal of magnetic resonance (San Diego, Calif. : 1997). 2021, Jul; 328
  1. 2.   Hybrid Correlation Energy (HyCE): An Approach Based on Separate Evaluations of Internal and External Components
  2. Ivanic, Joseph; Schmidt, Michael W.
  3. JOURNAL OF PHYSICAL CHEMISTRY A. 2018, Jun 14; 122(23): 5223-5237.
  1. 3.   Synergistic TRAIL Sensitizers from Barleria alluaudii and Diospyros maritima
  2. Whitson, E. L.; Sun, H.; Thomas, C. L.; Henrich, C. J.; Sayers, T. J.; McMahon, J. B.; Griesinger, C.; McKee, T. C.
  3. Journal of Natural Products. 2012, Mar; 75(3): 394-399.
  1. 4.   Coordinate linkage of HIV evolution reveals regions of immunological vulnerability
  2. Dahirel, V.; Shekhar, K.; Pereyra, F.; Miura, T.; Artyomov, M.; Talsania, S.; Allen, T. M.; Altfeld, M.; Carrington, M.; Irvine, D. J.; Walker, B. D.; Chakraborty, A. K.
  3. Proceedings of the National Academy of Sciences of the United States of America. 2011, Jul; 108(28): 11530-11535.
  1. 5.   Multiple-Targeting and Conformational Selection in the Estrogen Receptor: Computation and Experiment
  2. Yuan, P.; Liang, K. W.; Ma, B. Y.; Zheng, N.; Nussinov, R.; Huang, J.
  3. Chemical Biology & Drug Design. 2011, Jul; 78(1): 137-149.
  1. 6.   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. 7.   Electronic Structure Analysis of the Ground-State Potential Energy Curve of Be-2
  2. Schmidt, M. W.; Ivanic, J.; Ruedenberg, K.
  3. Journal of Physical Chemistry A. 2010, Aug; 114(33): 8687-8696.
  1. 8.   Arylation of Sensitive 1-(Pyrrolidin-1-yl)-diazen-1-ium-diolate in Ionic Liquids
  2. Velazquez, C. A.; Lynn, G. M.; Kumar, V.; Keefer, L. K.; Malhotra, S. V.
  3. Synthetic Communications. 2010, Apr 7; 40(9): 1322-1332.
  1. 9.   Mechanisms of transcription factor selectivity
  2. Pan, Y. P.; Tsai, C. J.; Ma, B. Y.; Nussinov, R.
  3. Trends in Genetics. 2010, Feb; 26(2): 75-83.
  1. 10.   Comparison of Nine Programs Predicting pK(a) Values of Pharmaceutical Substances
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Journal of Chemical Information and Modeling. 2009, Dec; 49(12): 2801-2812.
  1. 11.   On photoabsorption of the neutral form of the green fluorescent protein chromophore
  2. Topol, I.; Collins, J.; Polyakov, I.; Grigorenko, B.; Nemukhin, A.
  3. Biophysical Chemistry. 2009, Nov; 145(1): 1-6.
  1. 12.   A theoretical study of anthrax lethal factor inhibition by a set of novel carbamimidolyl-aryl-vinyl-carboxamidines: A possible mechanism involving zinc-ligation by amidine
  2. Nguyen, T. L.; Panchal, R. G.; Topol, I. A.; Lane, D.; Kenny, T.; Burnett, J. C.; Hermone, A. R.; McGrath, C.; Burt, S. K.; Gussio, R.; Bavari, S.
  3. Journal of Molecular Structure-theochem. 2007, Nov; 821(1-3): 139-144.
  1. 13.   FireDock: Fast interaction refinement in molecular docking
  2. Andrusier, N.; Nussinov, R.; Wolfson, H. J.
  3. Proteins-Structure Function and Bioinformatics. 2007, Oct; 69(1): 139-159.
  1. 14.   Correlation between binding rate constants and individual information of E-coli Fis binding sites
  2. Shultzaberger, R. K.; Roberts, L. R.; Lyakhov, I. G.; Sidorov, I. A.; Stephen, A. G.; Fisher, R. J.; Schneider, T. D.
  3. Nucleic Acids Research. 2007, Aug; 35(16): 5275-5283.
  1. 15.   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. 16.   Natural resonance structures and aromaticity of the nucleobases
  2. Sun, G. Y.; Nicklaus, M. C.
  3. Theoretical Chemistry Accounts. 2007, Feb; 117(2): 323-332.
  1. 17.   Fluorination approach to achieving tunable-optical-gap and large-optical-gap nanomaterials from carbon-caged nanoparticles
  2. Xie, J. R. H.; Zhao, J. J.; Sun, G. Y.; Cioslowski, J.
  3. Journal of Computational and Theoretical Nanoscience. 2007, Jan; 4(1): 142-146.
  1. 18.   Multiperson use of syringes among injection drug users in a needle exchange program: A gene-based molecular epidemiologic analysis
  2. Shrestha, S.; Smith, M. W.; Broman, K. W.; Farzadegan, H.; Vlahov, D.; Strathdee, S. A.
  3. Jaids-Journal of Acquired Immune Deficiency Syndromes. 2006, Nov; 43(3): 335-343.
  1. 19.   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. 20.   Ab initio electronic structure theory as an aid to understanding excited state hydrogen transfer in moderate to large systems
  2. Webb, S. P.
  3. Theoretical Chemistry Accounts. 2006, Aug; 116(1-3): 355-372.
  1. 21.   CorreLogo: an online server for 3D sequence logos of RNA and DNA alignments
  2. Bindewald, E.; Schneider, T. D.; Shapiro, B. A.
  3. Nucleic Acids Research. 2006, Jul; 34: W405-W411.
  1. 22.   Claude Shannon: Biologist
  2. Schneider, T. D.
  3. IEEE Engineering in Medicine and Biology Magazine. 2006, JAN-FEB; 25(1): 30-33.
  1. 23.   Comparative analysis of tandem T7-like promoter containing regions in enterobacterial genomes reveals a novel group of genetic islands
  2. Chen, Z. H.; Schneider, T. D.
  3. Nucleic Acids Research. 2006 34(4): 1133-1147.
  1. 24.   Electronic excitations of the chromophore from the fluorescent protein asFP595 in solutions
  2. Nemukhin, A. V.; Topol, I. A.; Burt, S. K.
  3. Journal of Chemical Theory and Computation. 2006, Mar-Apr; 2(2): 292-299.
  1. 25.   E/Z conformation and the vibrational spectroscopy of Me2NN(O)=NOMe
  2. Bohle, D. S.; Ivanic, J.; Saavedra, J. E.; Smith, K. N.; Wang, Y. N.
  3. Journal of Physical Chemistry A. 2005, DEC 15; 109(49): 11317-11321.
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