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Journal Abstract Search

341 related items for PubMed ID: 16851059

  • 41. Electronic structure, binding energy, and solvation structure of the streptavidin-biotin supramolecular complex: ONIOM and 3D-RISM study.
    Li Q, Gusarov S, Evoy S, Kovalenko A.
    J Phys Chem B; 2009 Jul 23; 113(29):9958-67. PubMed ID: 19545155
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  • 42. Protein-drug interactions: characterization of inhibitor binding in complexes of DHFR with trimethoprim and related derivatives.
    Fleischman SH, Brooks CL.
    Proteins; 1990 Jul 23; 7(1):52-61. PubMed ID: 2330368
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  • 43. Free energies and entropies of water molecules at the inhibitor-protein interface of DNA gyrase.
    Yu H, Rick SW.
    J Am Chem Soc; 2009 May 13; 131(18):6608-13. PubMed ID: 19374378
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  • 44. Insights from the energetics of water binding at the domain-ligand interface of the Src SH2 domain.
    De Fabritiis G, Geroult S, Coveney PV, Waksman G.
    Proteins; 2008 Sep 13; 72(4):1290-7. PubMed ID: 18384045
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  • 45. Heat capacity effects of water molecules and ions at a protein-DNA interface.
    Bergqvist S, Williams MA, O'Brien R, Ladbury JE.
    J Mol Biol; 2004 Feb 27; 336(4):829-42. PubMed ID: 15095863
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  • 46. Structural basis of functional mimicry between carbohydrate and peptide ligands of con A.
    Jain D, Kaur KJ, Goel M, Salunke DM.
    Biochem Biophys Res Commun; 2000 Jun 16; 272(3):843-9. PubMed ID: 10860840
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  • 47. MD simulations of the binding of alcohols and diols by a calixarene in water: connections between microscopic and macroscopic properties.
    Ghoufi A, Morel JP, Morel-Desrosiers N, Malfreyt P.
    J Phys Chem B; 2005 Dec 15; 109(49):23579-87. PubMed ID: 16375334
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  • 48. Thermodynamics of aminoglycoside binding to aminoglycoside-3'-phosphotransferase IIIa studied by isothermal titration calorimetry.
    Ozen C, Serpersu EH.
    Biochemistry; 2004 Nov 23; 43(46):14667-75. PubMed ID: 15544337
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  • 49. Thermodynamics of lectin-carbohydrate interactions. Binding of the core trimannoside of asparagine-linked carbohydrates and deoxy analogs to concanavalin A.
    Gupta D, Dam TK, Oscarson S, Brewer CF.
    J Biol Chem; 1997 Mar 07; 272(10):6388-92. PubMed ID: 9045661
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  • 50. Computational and experimental investigations of mono-septanoside binding by Concanavalin A: correlation of ligand stereochemistry to enthalpies of binding.
    Duff MR, Fyvie WS, Markad SD, Frankel AE, Kumar CV, Gascón JA, Peczuh MW.
    Org Biomol Chem; 2011 Jan 07; 9(1):154-64. PubMed ID: 21085738
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  • 51. A computational investigation of allostery in the catabolite activator protein.
    Li L, Uversky VN, Dunker AK, Meroueh SO.
    J Am Chem Soc; 2007 Dec 19; 129(50):15668-76. PubMed ID: 18041838
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  • 52. Van der Waals interactions dominate ligand-protein association in a protein binding site occluded from solvent water.
    Barratt E, Bingham RJ, Warner DJ, Laughton CA, Phillips SE, Homans SW.
    J Am Chem Soc; 2005 Aug 24; 127(33):11827-34. PubMed ID: 16104761
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  • 53. Evaluation of protein-ligand binding free energy focused on its entropic components.
    Chiba S, Harano Y, Roth R, Kinoshita M, Sakurai M.
    J Comput Chem; 2012 Feb 15; 33(5):550-60. PubMed ID: 22162031
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  • 54. A statistical rescoring scheme for protein-ligand docking: Consideration of entropic effect.
    Lee J, Seok C.
    Proteins; 2008 Feb 15; 70(3):1074-83. PubMed ID: 18076034
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  • 55. Structural properties of water: comparison of the SPC, SPCE, TIP4P, and TIP5P models of water.
    Zielkiewicz J.
    J Chem Phys; 2005 Sep 08; 123(10):104501. PubMed ID: 16178604
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  • 56. Additivity and the physical basis of multivalency effects: a thermodynamic investigation of the calcium EDTA interaction.
    Christensen T, Gooden DM, Kung JE, Toone EJ.
    J Am Chem Soc; 2003 Jun 18; 125(24):7357-66. PubMed ID: 12797810
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  • 57. Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase--evidence from molecular dynamics simulations and MM-PBSA calculations.
    Treesuwan W, Hannongbua S.
    J Mol Graph Model; 2009 Jun 18; 27(8):921-9. PubMed ID: 19414275
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  • 58. Involvement of water in carbohydrate-protein binding.
    Clarke C, Woods RJ, Gluska J, Cooper A, Nutley MA, Boons GJ.
    J Am Chem Soc; 2001 Dec 12; 123(49):12238-47. PubMed ID: 11734024
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  • 59. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
    Zhong Y, Patel S.
    J Phys Chem B; 2009 Jan 22; 113(3):767-78. PubMed ID: 19115819
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  • 60. Binding sub-site dissection of a carbohydrate-binding module reveals the contribution of entropy to oligosaccharide recognition at "non-primary" binding subsites.
    Lammerts van Bueren A, Boraston AB.
    J Mol Biol; 2004 Jul 16; 340(4):869-79. PubMed ID: 15223327
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