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Journal Abstract Search

139 related items for PubMed ID: 15581356

  • 1. Synchronized conformational fluctuations and binding site desolvation during molecular recognition.
    Jusuf S, Axelsen PH.
    Biochemistry; 2004 Dec 14; 43(49):15446-52. PubMed ID: 15581356
    [Abstract] [Full Text] [Related]

  • 2. Configurational entropy and cooperativity between ligand binding and dimerization in glycopeptide antibiotics.
    Jusuf S, Loll PJ, Axelsen PH.
    J Am Chem Soc; 2003 Apr 02; 125(13):3988-94. PubMed ID: 12656635
    [Abstract] [Full Text] [Related]

  • 3. Crystal structures of the complexes between vancomycin and cell-wall precursor analogs.
    Nitanai Y, Kikuchi T, Kakoi K, Hanamaki S, Fujisawa I, Aoki K.
    J Mol Biol; 2009 Feb 06; 385(5):1422-32. PubMed ID: 18976660
    [Abstract] [Full Text] [Related]

  • 4. Simulated dipeptide recognition by vancomycin.
    Li D, Sreenivasan U, Juranic N, Macura S, Puga FJ, Frohnert PM, Axelsen PH.
    J Mol Recognit; 1997 Feb 06; 10(2):73-87. PubMed ID: 9376130
    [Abstract] [Full Text] [Related]

  • 5. Vancomycin: ligand recognition, dimerization and super-complex formation.
    Jia Z, O'Mara ML, Zuegg J, Cooper MA, Mark AE.
    FEBS J; 2013 Mar 06; 280(5):1294-307. PubMed ID: 23298227
    [Abstract] [Full Text] [Related]

  • 6. Thermodynamics of buried water clusters at a protein-ligand binding interface.
    Li Z, Lazaridis T.
    J Phys Chem B; 2006 Jan 26; 110(3):1464-75. PubMed ID: 16471698
    [Abstract] [Full Text] [Related]

  • 7. The effect of water displacement on binding thermodynamics: concanavalin A.
    Li Z, Lazaridis T.
    J Phys Chem B; 2005 Jan 13; 109(1):662-70. PubMed ID: 16851059
    [Abstract] [Full Text] [Related]

  • 8. Intra- and intermolecular interaction inducing pyramidalization on both sides of a proline dipeptide during isomerization: an ab initio QM/MM molecular dynamics simulation study in explicit water.
    Yonezawa Y, Nakata K, Sakakura K, Takada T, Nakamura H.
    J Am Chem Soc; 2009 Apr 01; 131(12):4535-40. PubMed ID: 19267429
    [Abstract] [Full Text] [Related]

  • 9. Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.
    Gauto DF, Di Lella S, Guardia CM, Estrin DA, Martí MA.
    J Phys Chem B; 2009 Jun 25; 113(25):8717-24. PubMed ID: 19485380
    [Abstract] [Full Text] [Related]

  • 10. Partitioning the loss in vancomycin binding affinity for D-Ala-D-Lac into lost H-bond and repulsive lone pair contributions.
    McComas CC, Crowley BM, Boger DL.
    J Am Chem Soc; 2003 Aug 06; 125(31):9314-5. PubMed ID: 12889959
    [Abstract] [Full Text] [Related]

  • 11. A molecular dynamics simulation study of an aminoglycoside/A-site RNA complex: conformational and hydration patterns.
    Vaiana AC, Westhof E, Auffinger P.
    Biochimie; 2006 Aug 06; 88(8):1061-73. PubMed ID: 16824662
    [Abstract] [Full Text] [Related]

  • 12. Modeling side-chains using molecular dynamics improve recognition of binding region in CAPRI targets.
    Camacho CJ.
    Proteins; 2005 Aug 01; 60(2):245-51. PubMed ID: 15981253
    [Abstract] [Full Text] [Related]

  • 13. Molecular dynamics study of water penetration in staphylococcal nuclease.
    Damjanović A, García-Moreno B, Lattman EE, García AE.
    Proteins; 2005 Aug 15; 60(3):433-49. PubMed ID: 15971206
    [Abstract] [Full Text] [Related]

  • 14. Characterization of the galectin-1 carbohydrate recognition domain in terms of solvent occupancy.
    Di Lella S, Martí MA, Alvarez RM, Estrin DA, Ricci JC.
    J Phys Chem B; 2007 Jun 28; 111(25):7360-6. PubMed ID: 17523619
    [Abstract] [Full Text] [Related]

  • 15. PEARLS: program for energetic analysis of receptor-ligand system.
    Han LY, Lin HH, Li ZR, Zheng CJ, Cao ZW, Xie B, Chen YZ.
    J Chem Inf Model; 2006 Jun 28; 46(1):445-50. PubMed ID: 16426079
    [Abstract] [Full Text] [Related]

  • 16. Conformational and dynamics changes induced by bile acids binding to chicken liver bile acid binding protein.
    Eberini I, Guerini Rocco A, Ientile AR, Baptista AM, Gianazza E, Tomaselli S, Molinari H, Ragona L.
    Proteins; 2008 Jun 28; 71(4):1889-98. PubMed ID: 18175325
    [Abstract] [Full Text] [Related]

  • 17. Molecular dynamics simulations of the adipocyte lipid binding protein reveal a novel entry site for the ligand.
    Friedman R, Nachliel E, Gutman M.
    Biochemistry; 2005 Mar 22; 44(11):4275-83. PubMed ID: 15766256
    [Abstract] [Full Text] [Related]

  • 18. Prediction of solvation sites at the interface of Src SH2 domain complexes using molecular dynamics simulations.
    Geroult S, Hooda M, Virdee S, Waksman G.
    Chem Biol Drug Des; 2007 Aug 22; 70(2):87-99. PubMed ID: 17683370
    [Abstract] [Full Text] [Related]

  • 19. Structures of glycopeptide antibiotics with peptides that model bacterial cell-wall precursors.
    Lehmann C, Bunkóczi G, Vértesy L, Sheldrick GM.
    J Mol Biol; 2002 May 03; 318(3):723-32. PubMed ID: 12054818
    [Abstract] [Full Text] [Related]

  • 20. Quantum simulations of the structure and binding of glycopeptide antibiotic aglycons to cell wall analogues.
    Lee JG, Sagui C, Roland C.
    J Phys Chem B; 2005 Nov 03; 109(43):20588-96. PubMed ID: 16853665
    [Abstract] [Full Text] [Related]

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