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PUBMED FOR HANDHELDS

Journal Abstract Search


439 related items for PubMed ID: 16509744

  • 1. How the stabilization of INK4 tumor suppressor 3D structure evaluated by quantum chemical and molecular mechanics calculations corresponds well with experimental results: interplay of association enthalpy, entropy, and solvation effects.
    Otyepka M, Sklenovský P, Horinek D, Kubar T, Hobza P.
    J Phys Chem B; 2006 Mar 09; 110(9):4423-9. PubMed ID: 16509744
    [Abstract] [Full Text] [Related]

  • 2. Supramolecular binding thermodynamics by dispersion-corrected density functional theory.
    Grimme S.
    Chemistry; 2012 Aug 06; 18(32):9955-64. PubMed ID: 22782805
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
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  • 5. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
    Miyamoto S, Kollman PA.
    Proteins; 1993 Jul 16; 16(3):226-45. PubMed ID: 8346190
    [Abstract] [Full Text] [Related]

  • 6. Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulations.
    Kubar T, Hanus M, Ryjácek F, Hobza P.
    Chemistry; 2005 Dec 16; 12(1):280-90. PubMed ID: 16294358
    [Abstract] [Full Text] [Related]

  • 7. Theoretical analysis on changes in thermodynamic quantities upon protein folding: essential role of hydration.
    Imai T, Harano Y, Kinoshita M, Kovalenko A, Hirata F.
    J Chem Phys; 2007 Jun 14; 126(22):225102. PubMed ID: 17581082
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  • 8. Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculations.
    Maurer P, Iftimie R.
    J Chem Phys; 2010 Feb 21; 132(7):074112. PubMed ID: 20170220
    [Abstract] [Full Text] [Related]

  • 9. On the nature of DNA-duplex stability.
    Rezác J, Hobza P.
    Chemistry; 2007 Feb 21; 13(10):2983-9. PubMed ID: 17183597
    [Abstract] [Full Text] [Related]

  • 10. Unexpectedly strong energy stabilization inside the hydrophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations.
    Vondrásek J, Bendová L, Klusák V, Hobza P.
    J Am Chem Soc; 2005 Mar 02; 127(8):2615-9. PubMed ID: 15725017
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  • 15. Leading RNA tertiary interactions: structures, energies, and water insertion of A-minor and P-interactions. A quantum chemical view.
    Sponer JE, Réblova K, Mokdad A, Sychrovský V, Leszczynski J, Sponer J.
    J Phys Chem B; 2007 Aug 02; 111(30):9153-64. PubMed ID: 17602515
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  • 16. Stability and folding of the tumour suppressor protein p16.
    Tang KS, Guralnick BJ, Wang WK, Fersht AR, Itzhaki LS.
    J Mol Biol; 1999 Jan 29; 285(4):1869-86. PubMed ID: 9917418
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  • 17. Rotamer strain energy in protein helices - quantification of a major force opposing protein folding.
    Penel S, Doig AJ.
    J Mol Biol; 2001 Jan 26; 305(4):961-8. PubMed ID: 11162106
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  • 18. The treatment of solvation by a generalized Born model and a self-consistent charge-density functional theory-based tight-binding method.
    Xie L, Liu H.
    J Comput Chem; 2002 Nov 30; 23(15):1404-15. PubMed ID: 12370943
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  • 20. Deducing the energetic cost of protein folding in zinc finger proteins using designed metallopeptides.
    Reddi AR, Guzman TR, Breece RM, Tierney DL, Gibney BR.
    J Am Chem Soc; 2007 Oct 24; 129(42):12815-27. PubMed ID: 17902663
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