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  1. 1.   Effects of Xylanase A double mutation on substrate specificity and structural dynamics
  2. MacDonald, Meagan E; Wells, Nicholas G M; Hassan,Bakar; Dudley, Joshua A; Walters,Kylie; Korzhnev, Dmitry M; Aramini, James M; Smith, Colin A
  3. Journal of Structural Biology. 2024, Mar 02; 108082.
  1. 2.   A mutagenesis study of autoantigen optimization for potential T1D vaccine design
  2. Song, Yi; Bell,David; Ahmed, Rizwan; Chan, Kevin C; Lee, Sangyun; Hamad, Abdel Rahim A; Zhou, Ruhong
  3. Proceedings of the National Academy of Sciences of the United States of America. 2023, Apr 18; 120(16): e2214430120.
  1. 3.   Computational investigation of natural compounds as potential main protease (Mpro) inhibitors for SARS-CoV-2 virus
  2. Patel,Chiragkumar; Jani, Siddhi P; Prasanth Kumar, Sivakumar; Modi, Krunal M; Kumar, Yogesh
  3. Computers in Biology and Medicine. 2022, Nov 18; 151(Pt A): 106318.
  1. 4.   Autoinhibition can identify rare driver mutations and advise pharmacology
  2. Nussinov,Ruth; Tsai,Chung-Jung; Jang,Hyunbum
  3. FASEB journal : official publication of the Federation of American Societies for Experimental Biology. 2020, Jan; 34(1): 16-29.
  1. 5.   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. 6.   Magnitude of the hydrophobic effect at central versus peripheral sites in protein-protein interfaces
  2. Li, Y. L.; Huang, Y. P.; Swaminathan, C. P.; Smith-Gill, S. J.; Mariuzza, R. A.
  3. Structure. 2005, FEB; 13(2): 297-307.
  1. 7.   Protein-protein interactions: Hot spots and structurally conserved residues often locate in complemented pockets that pre-organized in the unbound states: Implications for docking
  2. Li, X.; Keskin, O.; Ma, B. Y.; Nussinov, R.; Liang, J.
  3. Journal of Molecular Biology. 2004, NOV 26; 344(3): 781-795.
  1. 8.   The stability and free energy landscape of an amyloid-forming peptide DFNKF from the human calcitonin in explicit water
  2. Tsai, H. H. G.; Tsai, C. J.; Ma, B.; Gunasekaran, K.; Zanuy, D.; Nussinov, R.
  3. Biophysical Journal. 2004 86(1, Part 2 Suppl. S): 412A-412A.
  1. 9.   Mechanistic insights into the kinetics of HIV-1 nucleocapsid protein-facilitated tRNA annealing to the primer binding site
  2. Hargittai, M. R. S.; Gorelick, R. J.; Rouzina, L.; Musier-Forsyth, K.
  3. Journal of Molecular Biology. 2004 337(4): 951-968.
  1. 10.   Different roles of electrostatics in heat and in cold: Adaptation by citrate synthase
  2. Kumar, S.; Nussinov, R.
  3. Chembiochem. 2004 5(3): 280-290.
  1. 11.   Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding
  2. Podjarny, A.; Cachau, R. E.; Schneider, T.; Van Zandt, M.; Joachimiak, A.
  3. Cellular and Molecular Life Sciences. 2004 61(7-8): 763-773.
  1. 12.   Reaction Path and Free Energy Calculations of the Transition Between Alternate Conformations of Hiv-1 Protease
  2. Rick, S. W.; Erickson, J. W.; Burt, S. K.
  3. Proteins. 1998 32(1): 7-16.
  1. 13.   Favorable Domain Size in Proteins
  2. Xu, D.; Nussinov, R.
  3. Folding and Design. 1998 3(1): 11-17.
  1. 14.   Molecular mechanisms of resistance: Free energy calculations of mutation effects on inhibitor binding to HIV-1 protease
  2. Rick, S. W.; Topol, I. A.; Erickson, J. W.; Burt, S. K.
  3. Protein Science. 1998 7(8): 1750-1756.
  1. 15.   Protein Binding Versus Protein Folding - the Role of Hydrophilic Bridges in Protein Associations
  2. Xu, D.; Lin, S. L.; Nussinov, R.
  3. Journal of Molecular Biology. 1997 265(1): 68-84.
  1. 16.   Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example
  2. Qi, Ruxi; Wei, Guanghong; Ma, Buyong; Nussinov, Ruth
  3. Methods in Molecular Biology . 2018 1777: 101-119.
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