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  1. 1.   Probing the Broad Time Scale and Heterogeneous Conformational Dynamics in the Catalytic Core of the Arf-GAP ASAP1 via Methyl Adiabatic Relaxation Dispersion
  2. Chao, Fa-An; Li, Yifei; Zhang,Yue; Byrd, R. Andrew
  3. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2019, JUL 31; 141(30): 11881-11891.
  1. 2.   Computer tools in the discovery of HIV-1 integrase inhibitors
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Future Medicinal Chemistry. 2010, Jul; 2(7): 1123-1140.
  1. 3.   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. 4.   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. 5.   Global transcriptional programs reveal a carbon source foraging strategy by Escherichia coli
  2. Liu, M. Z.; Durfee, T.; Cabrera, J. E.; Zhao, K.; Jin, D. J.; Blattner, F. R.
  3. Journal of Biological Chemistry. 2005, APR 22; 280(16): 15921-15927.
  1. 6.   (Salen)Mn-catalyzed epoxidation of alkenes: A two-zone process with different spin-state channels as suggested by DFT study
  2. Abashkin, Y. G.; Burt, S. K.
  3. Organic Letters. 2004, Jan; 6(1): 59-62.
  1. 7.   (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. 8.   Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. 1. C-60, C59N+, and C48N12: Theory and experiment
  2. Xie, R. H.; Bryant, G. W.; Sun, G. Y.; Nicklaus, M. C.; Heringer, D.; Frauenheim, T.; Manaa, M. R.; Smith, V. H.; Araki, Y.; Ito, O.
  3. Journal of Chemical Physics. 2004 120(11): 5133-5147.
  1. 9.   (Salen)Mn(III)-catalyzed epoxidation reaction as a multichannel process with different spin states. Electronic tuning of asymmetric catalysis: A theoretical study
  2. Abashkin, Y. G.; Collins, J. R.; Burt, S. K.
  3. Inorganic Chemistry. 2001 40(16): 4040-4048.
  1. 10.   Comparison of different data set screening methods for use in QSAR/QSPR generation studies
  2. Luke, B. T.
  3. Theochem-Journal of Molecular Structure. 2000 507: 229-238.
  1. 11.   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.
  1. 12.   The Ewald sphere/focus gradient does not limit the resolution of cryoEM reconstructions
  2. Heymann,Bernard
  3. Journal of Structural Biology: X. 2023 7: 100083.
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