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  1. 1.   Induced fit, conformational selection and independent dynamic segments: an extended view of binding events
  2. Csermely, P.; Palotai, R.; Nussinov, R.
  3. Trends in Biochemical Sciences. 2010, Oct; 35(10): 539-546.
  1. 2.   Understanding antibody-antigen associations by molecular dynamics simulations: Detection of important intra- and inter-molecular salt bridges
  2. Sinha, N.; Li, Y. L.; Lipschultz, C. A.; Smith-Gill, S. J.
  3. Cell Biochemistry and Biophysics. 2007 47(3): 361-375.
  1. 3.   Catalytic role of proton transfers in the formation of a tetrahedral adduct in a serine carboxyl peptidase
  2. Guo, H. B.; Wlodawer, A.; Nakayama, T.; Xu, Q.; Guo, H.
  3. Biochemistry. 2006, Aug; 45(30): 9129-9137.
  1. 4.   Structural mimicry of CD4 by a cross-reactive HIV-1 neutralizing antibody with CDR-H2 and H3 containing unique motifs
  2. Prabakaran, P.; Gan, J. H.; Wu, Y. Q.; Zhang, M. Y.; Dimitrov, D. S.; Ji, X. H.
  3. Journal of Molecular Biology. 2006, MAR 17; 357(1): 82-99.
  1. 5.   Atomic-level description of amyloid beta-dimer formation
  2. Gnanakaran, S.; Nussinov, R.; Garcia, A. E.
  3. Journal of the American Chemical Society. 2006, Feb; 128(7): 2158-2159.
  1. 6.   Energy landscape of amyloidogenic peptide oligomerization by parallel-tempering molecular dynamics simulation: Significant role of Asn ladder
  2. Tsai, H. H.; Reches, M.; Tsai, C. J.; Gunasekaran, K.; Gazit, E.; Nussinov, R.
  3. Proceedings of the National Academy of Sciences of the United States of America. 2005, JUN 7; 102(23): 8174-8179.
  1. 7.   Binding affinity difference induced by the stereochemistry of the sulfoxide bridge of the cyclic peptide inhibitors of Grb2-SH2 domain: NMR studies for the structural origin
  2. Shi, Y. H.; Song, Y. L.; Lin, D. H.; Tan, J. Z.; Roller, P. P.; Li, Q.; Long, Y. Q.; Song, G. Q.
  3. Biochemical and Biophysical Research Communications. 2005, MAY 20; 330(4): 1254-1261.
  1. 8.   Favorable scaffolds: proteins with different sequence, structure and function may associate in similar ways
  2. Keskin, O.; Nussinov, R.
  3. Protein Engineering Design & Selection. 2005, JAN; 18(1): 11-24.
  1. 9.   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. 10.   Solution structure of the pseudo-5 ' splice site of a retroviral splicing suppressor
  2. Cabello-Villegas, J.; Giles, K. E.; Soto, A. M.; Yu, P.; Mougin, A.; Beemon, K. L.; Wang, Y. X.
  3. Rna-a Publication of the Rna Society. 2004, SEP; 10(9): 1388-1398.
  1. 11.   Multiple proton translocation in biomolecular systems: concerted to stepwise transition in a simple model
  2. Kohanoff, J. J.; Cachau, R. E.
  3. Molecular Physics. 2004, MAY 10; 102(9-10): 1007-1014.
  1. 12.   De novo design and characterization of a helical hairpin eicosapeptide: Emergence of an anion receptor in the linker region
  2. Rudresh; Ramakumar, S.; Ramagopal, U. A.; Inai, Y.; Goel, S.; Sahal, D.
  3. Structure. 2004 12(3): 389-396.
  1. 13.   Ultrahigh resolution drug design I: Details of interactions in human aldose reductase-inhibitor complex at 0.66 angstrom
  2. Howard, E. I.; Sanishvili, R.; Cachau, R. E.; Mitschler, A.; Chevrier, B.; Barth, P.; Lamour, V.; Van Zandt, M.; Sibley, E.; Bon, C.; Moras, D.; Schneider, T. R.; Joachimiak, A.; Podjarny, A.
  3. Proteins-Structure Function and Bioinformatics. 2004 55(4): 792-804.
  1. 14.   Transient, highly populated, building blocks folding model
  2. Tsai, C. J.; Nussinov, R.
  3. Cell Biochemistry and Biophysics. 2001 34(2): 209-235.
  1. 15.   Structural study of the complex between human pepsin and a phosphorus-containing peptidic transition-state analog
  2. Fujinaga, M.; Cherney, M. M.; Tarasova, N. I.; Bartlett, P. A.; Hanson, J. E.; James, M. N. G.
  3. Acta Crystallographica Section D-Biological Crystallography. 2000 56(Part 3): 272-279.
  1. 16.   Concertedness and solvent effects in multiple proton transfer reactions: The formic acid dimer in solution
  2. Kohanoff, J.; Koval, S.; Estrin, D. A.; Laria, D.; Abashkin, Y.
  3. Journal of Chemical Physics. 2000 112(21): 9498-9508.
  1. 17.   The role of lysine-41 in RNase A catalysis - A quantum chemical study on the active site ligand complex
  2. Vishveshwara, S.; Jacob, R.; Nadig, G.; Maizel, J. V.
  3. Journal of Molecular Structure. 1998 471(1-3): 1-11.
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