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  1. 1.   High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design
  2. Lountos, George; Raran-Kurussi, Sreejith; Zhao, Bryan M; Dyas, Beverly K; Burke, Terrence; Ulrich, Robert G; Waugh, David
  3. Acta crystallographica. Section D, Structural biology. 2018, Oct 01; 74(Pt 10): 1015-1026.
  1. 2.   Structural characterization of inhibitor complexes with checkpoint kinase 2 (Chk2), a drug target for cancer therapy
  2. Lountos, G. T.; Jobson, A. G.; Tropea, J. E.; Self, C. R.; Zhang, G. T.; Pommier, Y.; Shoemaker, R. H.; Waugh, D. S.
  3. Journal of Structural Biology. 2011, Dec; 176(3): 292-301.
  1. 3.   X-ray structures of checkpoint kinase 2 in complex with inhibitors that target its gatekeeper-dependent hydrophobic pocket
  2. Lountos, G. T.; Jobson, A. G.; Tropea, J. E.; Self, C. R.; Zhang, G. T.; Pommier, Y.; Shoemaker, R. H.; Waugh, D. S.
  3. Febs Letters. 2011, Oct; 585(20): 3245-3249.
  1. 4.   Serotype-selective, small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A
  2. Park, J. G.; Sill, P. C.; Makiyi, E. F.; Garcia-Sosa, A. T.; Millard, C. B.; Schmidt, J. J.; Pang, Y. P.
  3. Bioorganic & Medicinal Chemistry. 2006, Jan; 14(2): 395-408.
  1. 5.   Homology model of the CDK1/cyclin B complex
  2. McGrath, C. F.; Pattabiraman, N.; Kellogg, G. E.; Lemcke, T.; Kunick, C.; Sausville, E. A.; Zaharevitz, D. W.; Gussio, R.
  3. Journal of Biomolecular Structure & Dynamics. 2005, APR; 22(5): 493-502.
  1. 6.   Structure-based design modifications of the paullone molecular scaffold for cyclin-dependent kinase inhibition
  2. Gussio, R.; Zaharevitz, D. W.; McGrath, C. F.; Pattabiraman, N.; Kellogg, G. E.; Schultz, C.; Link, A.; Kunick, C.; Leost, M.; Meijer, L.; Sausville, E. A.
  3. Anti-Cancer Drug Design. 2000 15(1): 53-66.
  1. 7.   Flexible Docking Allowing Induced Fit in Proteins - Insights From an Open to Closed Conformational Isomers
  2. Sandak, B.; Wolfson, H. J.; Nussinov, R.
  3. Proteins-Structure Function and Genetics. 1998 32(2): 159-174.
  1. 8.   A method for biomolecular structural recognition and docking allowing conformational flexibility
  2. Sandak, B.; Nussinov, R.; Wolfson, H. J.
  3. Journal of Computational Biology. 1998 5(4): 631-654.
  1. 9.   Probing the Structural Basis of the Catalytic Activity of Hiv-1 Pr Through Total Chemical Protein Synthesis
  2. Miller, M.; Baca, M.; Rao, J. K. M.; Kent, S. B. H.
  3. Theochem-Journal of Molecular Structure. 1998 423(1-2): 137-152.
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