Skip NavigationSkip to Content

NCI at Frederick Scientific Publications Advanced Search

Search

  1. NCI-F Publications

  2. Return to Quick Search
Search
  2. Year Published:

Your search returned 93 results.
User Information
Export Records
  1. 1.   The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 angstrom Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed QM/MM Calculations
  2. Sharma, S.; Bhaumik, P.; Schmitz, W.; Venkatesan, R.; Hiltunen, J. K.; Conzelmann, E.; Juffer, A. H.; Wierenga, R. K.
  3. Journal of Physical Chemistry B. 2012, Mar; 116(11): 3619-3629.
  1. 2.   Crystal structures of the reverse transcriptase-associated ribonuclease H domain of xenotropic murine leukemia-virus related virus
  2. Zhou, D. W.; Chung, S. H.; Miller, M.; Le Grice, S. F. J.; Wlodawer, A.
  3. Journal of Structural Biology. 2012, Mar; 177(3): 638-645.
  1. 3.   Structural studies of vacuolar plasmepsins
  2. Bhaumik, P.; Gustchina, A.; Wlodawer, A.
  3. Biochimica Et Biophysica Acta-Proteins and Proteomics. 2012, Jan; 1824(1): 207-223.
  1. 4.   Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity
  2. Plechanovova, A.; Byun, Y.; Alquicer, G.; Skultetyova, L.; Mlcochova, P.; Nemcova, A.; Kim, H. J.; Navratil, M.; Mease, R.; Lubkowski, J.; Pomper, M.; Konvalinka, J.; Rulisek, L.; Barinka, C.
  3. Journal of Medicinal Chemistry. 2011, Nov; 54(21): 7535-7546.
  1. 5.   Structural Insights into the Activation and Inhibition of Histo-Aspartic Protease from Plasmodium falciparum
  2. Bhaumik, P.; Xiao, H. G.; Hidaka, K.; Gustchina, A.; Kiso, Y.; Yada, R. Y.; Wlodawer, A.
  3. Biochemistry. 2011, Oct; 50(41): 8862-8879.
  1. 6.   Interaction of RNA Polymerase II Fork Loop 2 with Downstream Non-template DNA Regulates Transcription Elongation
  2. Kireeva, M. L.; Domecq, C.; Coulombe, B.; Burton, Z. F.; Kashlev, M.
  3. Journal of Biological Chemistry. 2011, Sep; 286(35): 30898-30910.
  1. 7.   Clarification of the Mechanism of Acylation Reaction and Origin of Substrate Specificity of the Serine-Carboxyl Peptidase Sedolisin through QM/MM Free Energy Simulations
  2. Xu, Q.; Yao, J. Z.; Wlodawer, A.; Guo, H.
  3. Journal of Physical Chemistry B. 2011, Mar; 115(10): 2470-2476.
  1. 8.   Structural determinants of tobacco vein mottling virus protease substrate specificity
  2. Sun, P.; Austin, B. P.; Tozser, J.; Waugh, D. S.
  3. Protein Science. 2010, Nov; 19(11): 2240-2251.
  1. 9.   Enzyme dynamics point to stepwise conformational selection in catalysis
  2. Ma, B. Y.; Nussinov, R.
  3. Current Opinion in Chemical Biology. 2010, Oct; 14(5): 652-659.
  1. 10.   Structure of the N-terminal fragment of Escherichia coli Lon protease
  2. Li, M.; Gustchina, A.; Rasulova, F. S.; Melnikov, E. E.; Maurizi, M. R.; Rotanova, T. V.; Dauter, Z.; Wlodawer, A.
  3. Acta Crystallographica Section D-Biological Crystallography. 2010, Aug; 66: 865-873.
  1. 11.   Tautomerism and Magnesium Chelation of HIV-1 Integrase Inhibitors: A Theoretical Study
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Chemmedchem. 2010, Jul 5; 5(7): 1053-1066.
  1. 12.   HIV-1 Integrase and Virus and Cell DNAs: Complex Formation and Perturbation by Inhibitors of Integration
  2. Hobaika, Z.; Zargarian, L.; Maroun, R. G.; Mauffret, O.; Burke, T. R.; Ferm, jian
  3. Neurochemical Research. 2010, Jun; 35(6): 888-893.
  1. 13.   Theoretical Characterization of Substrate Access/Exit Channels in the Human Cytochrome P450 3A4 Enzyme: Involvement of Phenylalanine Residues in the Gating Mechanism
  2. Fishelovitch, D.; Shaik, S.; Wolfson, H. J.; Nussinov, R.
  3. Journal of Physical Chemistry B. 2009 113(39): 13018-13025.
  1. 14.   Reaction Mechanism of Glutamate Carboxypeptidase II Revealed by Mutagenesis, X-ray Crystallography, and Computational Methods
  2. Klusak, V.; Barinka, C.; Plechanovova, A.; Mlcochova, P.; Konvalinka, J.; Rulisek, L.; Lubkowski, J.
  3. Biochemistry. 2009 48(19): 4126-4138.
  1. 15.   Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
  2. Barinka, C.; Byun, Y.; Dusich, C. L.; Banerjee, S. R.; Chen, Y.; Castanares, M.; Kozikowski, A. P.; Mease, R. C.; Pomper, M. G.; Lubkowski, J.
  3. Journal of Medicinal Chemistry. 2008 51(24): 7737-7743.
  1. 16.   Examining the ribonuclease H primer grip of HIV-1 reverse transcriptase by charge neutralization of RNA/DNA hybrids
  2. Dash, C.; Scarth, B. J.; Badorrek, C.; Gotte, M.; Le Grice, S.
  3. Nucleic Acids Research. 2008 36(20): 6363-6371.
  1. 17.   In vitro fidelity of the prototype primate foamy virus (PFV) RT compared to HIV-1 RT
  2. Boyer, P. L.; Stenbak, C. R.; Hoberman, D.; Linial, M. L.; Hughes, S. H.
  3. Virology. 2007, Oct; 367(2): 253-264.
  1. 18.   Conformation of 3'CMP bound to RNase a using TrNOESY
  2. Lee, Y. C.; Jackson, P. L.; Jablonsky, M. J.; Muccio, D. D.
  3. Archives of Biochemistry and Biophysics. 2007, Jul; 463(1): 37-46.
  1. 19.   Structural characterization of B and non-B subtypes of HIV-protease: Insights into the natural susceptibility to drug resistance development
  2. Sanches, M.; Krauchenco, S.; Martins, N. H.; Gustchina, A.; Wlodawer, A.; Polikarpov, I.
  3. Journal of Molecular Biology. 2007, Jun; 369(4): 1029-1040.
  1. 20.   Probing HIV-1 integrase inhibitor binding sites with position-specific integrase-DNA cross-linking assays
  2. Johnson, A. A.; March, C.; Patil, S. S.; Costi, R.; Di Santo, R.; Burke, T. R.; Pommier, Y.
  3. Molecular Pharmacology. 2007, Mar; 71(3): 893-901.
  1. 21.   The QM/MM molecular dynamics and free energy simulations of the acylation reaction catalyzed by the serine-carboxyl peptidase kumamolisin-As
  2. Xu, Q.; Guo, H. B.; Wlodawer, A.; Nakayama, T.; Guo, H.
  3. Biochemistry. 2007, Mar; 46(12): 3784-3792.
  1. 22.   Structural dynamics of the cooperative binding of organic molecules in the human cytochrome P450 3A4
  2. Fishelovitch, D.; Hazan, C.; Shaik, S.; Wolfson, H. J.; Nussinov, R.
  3. Journal of the American Chemical Society. 2007, Feb; 129(6): 1602-1611.
  1. 23.   Investigating the "steric gate" of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase by targeted insertion of unnatural amino acids
  2. Klarmann, G. J.; Eisenhauer, B. M.; Zhang, Y.; Gotte, M.; Pata, J. D.; Chatterjee, D. K.; Hecht, S. M.; Le Grice, S. F. J.
  3. Biochemistry. 2007, Feb; 46(8): 2118-2126.
  1. 24.   Examining interactions of HIV-1 reverse transcriptase with single-stranded template nucleotides by nucleoside analog interference
  2. Dash, C.; Fisher, T. S.; Prasad, V. R.; Le Grice, S. F. J.
  3. Journal of Biological Chemistry. 2006, Sep; 281(38): 27873-27881.
  1. 25.   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.
NCI at Frederick

You are leaving a government website.

This external link provides additional information that is consistent with the intended purpose of this site. The government cannot attest to the accuracy of a non-federal site.

Linking to a non-federal site does not constitute an endorsement by this institution or any of its employees of the sponsors or the information and products presented on the site. You will be subject to the destination site's privacy policy when you follow the link.

ContinueCancel