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Journal Abstract Search

329 related items for PubMed ID: 17335007

  • 41. Computational study of bindings of HK20 Fab and D5 Fab to HIV-1 gp41.
    Hartono YD, Lazim R, Yip YM, Zhang D.
    Bioorg Med Chem Lett; 2012 Feb 15; 22(4):1695-700. PubMed ID: 22260771
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  • 42. Study on the inhibitory mechanism and binding mode of the hydroxycoumarin compound NSC158393 to HIV-1 integrase by molecular modeling.
    Liu M, Cong XJ, Li P, Tan JJ, Chen WZ, Wang CX.
    Biopolymers; 2009 Sep 15; 91(9):700-9. PubMed ID: 19382173
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  • 43. Importance of individual side chains for the stability of a protein fold: computational alanine scanning of the insulin monomer.
    Zoete V, Meuwly M.
    J Comput Chem; 2006 Nov 30; 27(15):1843-57. PubMed ID: 16981237
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  • 44. Molecular dynamics simulations of human LRH-1: the impact of ligand binding in a constitutively active nuclear receptor.
    Burendahl S, Treuter E, Nilsson L.
    Biochemistry; 2008 May 06; 47(18):5205-15. PubMed ID: 18410128
    [Abstract] [Full Text] [Related]

  • 45. Retrocyclin RC-101 overcomes cationic mutations on the heptad repeat 2 region of HIV-1 gp41.
    Fuhrman CA, Warren AD, Waring AJ, Dutz SM, Sharma S, Lehrer RI, Cole AL, Cole AM.
    FEBS J; 2007 Dec 06; 274(24):6477-87. PubMed ID: 18028423
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  • 46. Studies of the mechanism of selectivity of protein tyrosine phosphatase 1B (PTP1B) bidentate inhibitors using molecular dynamics simulations and free energy calculations.
    Fang L, Zhang H, Cui W, Ji M.
    J Chem Inf Model; 2008 Oct 06; 48(10):2030-41. PubMed ID: 18831546
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  • 47. A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase.
    Steinbrecher T, Case DA, Labahn A.
    J Med Chem; 2006 Mar 23; 49(6):1837-44. PubMed ID: 16539369
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  • 48. Application of the lambda-dynamics method to evaluate the relative binding free energies of inhibitors to HCV protease.
    Guo Z, Durkin J, Fischmann T, Ingram R, Prongay A, Zhang R, Madison V.
    J Med Chem; 2003 Dec 04; 46(25):5360-4. PubMed ID: 14640544
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  • 49. Free-energy simulations of the oxidation of c-terminal methionines in calmodulin.
    Jas GS, Kuczera K.
    Proteins; 2002 Aug 01; 48(2):257-68. PubMed ID: 12112694
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  • 50. Development of a FRET assay for monitoring of HIV gp41 core disruption.
    Xu Y, Hixon MS, Dawson PE, Janda KD.
    J Org Chem; 2007 Aug 31; 72(18):6700-7. PubMed ID: 17685571
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  • 51. Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations.
    Díaz N, Suárez D, Suárez E.
    Proteins; 2010 Jan 31; 78(1):1-11. PubMed ID: 19585658
    [Abstract] [Full Text] [Related]

  • 52. A computational analysis of the binding affinities of FKBP12 inhibitors using the MM-PB/SA method.
    Xu Y, Wang R.
    Proteins; 2006 Sep 01; 64(4):1058-68. PubMed ID: 16838311
    [Abstract] [Full Text] [Related]

  • 53. Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface.
    Verkhivker GM, Bouzida D, Gehlhaar DK, Rejto PA, Freer ST, Rose PW.
    Proteins; 2003 Nov 01; 53(2):201-19. PubMed ID: 14517972
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  • 54. Molecular insights into 14-membered macrolides using the MM-PBSA method.
    Yam WK, Wahab HA.
    J Chem Inf Model; 2009 Jun 01; 49(6):1558-67. PubMed ID: 19469526
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  • 55. AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.
    Gallicchio E, Levy RM.
    J Comput Chem; 2004 Mar 01; 25(4):479-99. PubMed ID: 14735568
    [Abstract] [Full Text] [Related]

  • 56. Molecular dynamics simulations of 2-amino-6-arylsulphonylbenzonitriles analogues as HIV inhibitors: interaction modes and binding free energies.
    Hu R, Barbault F, Maurel F, Delamar M, Zhang R.
    Chem Biol Drug Des; 2010 Dec 01; 76(6):518-26. PubMed ID: 20942836
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  • 57. Molecular dynamics study of zinc binding to cysteines in a peptide mimic of the alcohol dehydrogenase structural zinc site.
    Brandt EG, Hellgren M, Brinck T, Bergman T, Edholm O.
    Phys Chem Chem Phys; 2009 Feb 14; 11(6):975-83. PubMed ID: 19177216
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  • 58. Atoms-in-molecules study of the genetically encoded amino acids. III. Bond and atomic properties and their correlations with experiment including mutation-induced changes in protein stability and genetic coding.
    Matta CF, Bader RF.
    Proteins; 2003 Aug 15; 52(3):360-99. PubMed ID: 12866050
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  • 59. A molecular thermodynamic view of DNA-drug interactions: a case study of 25 minor-groove binders.
    Shaikh SA, Ahmed SR, Jayaram B.
    Arch Biochem Biophys; 2004 Sep 01; 429(1):81-99. PubMed ID: 15288812
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  • 60. A predictive method for the evaluation of peptide binding in pocket 1 of HLA-DRB1 via global minimization of energy interactions.
    Androulakis IP, Nayak NN, Ierapetritou MG, Monos DS, Floudas CA.
    Proteins; 1997 Sep 01; 29(1):87-102. PubMed ID: 9294869
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