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  1. 1.   A Simulation Strategy for the Atomistic Modeling of Flexible Molecules Covalently Tethered to Rigid Surfaces: Application to Peptides
  2. Curco, D.; Zanuy, D.; Nussinov, R.; Aleman, C.
  3. Journal of Computational Chemistry. 2011, Mar; 32(4): 607-619.
  1. 2.   Computational Validation of Protein Nanotubes
  2. Buch, I.; Brooks, B. R.; Wolfson, H. J.; Nussinov, R.
  3. Nano Letters. 2009 9(3): 1096-1102.
  1. 3.   Coarse-grained representation of beta-helical protein building blocks
  2. Curco, D.; Nussinov, R.; Aleman, C.
  3. Journal of Physical Chemistry B. 2007, Sep; 111(35): 10538-10549.
  1. 4.   Human P2Y(6) receptor: Molecular modeling leads to the rational design of a novel agonist based on a unique conformational preference
  2. Costanzi, S.; Joshi, B. V.; Maddileti, S.; Mamedova, L.; Gonzalez-Moa, M. J.; Marquez, V. E.; Harden, T. K.; Jacobson, K. A.
  3. Journal of Medicinal Chemistry. 2005, DEC 29; 48(26): 8108-8111.
  1. 5.   Periodicity, planarity, residual dipolar coupling, and structures
  2. Walsh, J. D.; Wang, Y. X.
  3. Journal of Magnetic Resonance. 2005, MAY; 174(1): 152-162.
  1. 6.   Evolution of human immunodeficiency virus under selection and weak recombination
  2. Rouzine, I. M.; Coffin, J. M.
  3. Genetics. 2005, MAY; 170(1): 7-18.
  1. 7.   Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: Correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues
  2. Smith, M. B. K.; Hose, B. M.; Hawkins, A.; Lipchock, J.; Farnsworth, D. W.; Rizzo, R. C.; Tirado-Rives, J.; Arnold, E.; Zhang, W.; Hughes, S. H.; Jorgensen, W. L.; Michejda, C. J.; Smith, R. H.
  3. Journal of Medicinal Chemistry. 2003 46(10): 1940-1947.
  1. 8.   Principles of docking: An overview of search algorithms and a guide to scoring functions
  2. Halperin, I.; Ma, B. Y.; Wolfson, H.; Nussinov, R.
  3. Proteins-Structure Function and Genetics. 2002 47(4): 409-443.
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