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  1. 1.   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. 2.   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. 3.   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. 4.   Modeling of biomolecular systems with the quantum mechanical and molecular mechanical method based on the effective fragment potential technique: Proposal of flexible fragments
  2. Grigorenko, B. L.; Nemukhin, A. V.; Topol, I. A.; Burt, S. K.
  3. Journal of Physical Chemistry A. 2002 106(44): 10663-10672.
  1. 5.   Transition-state ensemble in enzyme catalysis: Possibility, reality, or necessity?
  2. Ma, B. Y.; Kumar, S.; Tsai, C. J.; Hu, Z. J.; Nussinov, R.
  3. Journal of Theoretical Biology. 2000 203(4): 383-397.
  1. 6.   Molecular Shape Comparisons in Searches For Active Sites and Functional Similarity
  2. Rosen, M.; Lin, S. L.; Wolfson, H.; Nussinov, R.
  3. Protein Engineering. 1998 11(4): 263-277.
  1. 7.   Electrostatics, Allostery, and Activity of the Yeast Chorismate Mutase
  2. Lin, S. L.; Xu, D.; Li, A. J.; Nussinov, R.
  3. Proteins. 1998 31(4): 445-452.
  1. 8.   Investigation of the Enzymatic Mechanism of the Yeast Chorismate Mutase By Docking a Transition State Analog
  2. Lin, S. L.; Xu, D.; Li, A. J.; Rosen, M.; Wolfson, H. J.; Nussinov, R.
  3. Journal of Molecular Biology. 1997 271(5): 838-845.
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