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Journal Abstract Search

180 related items for PubMed ID: 14705027

  • 41. Conformational entropy of biomolecules: beyond the quasi-harmonic approximation.
    Numata J, Wan M, Knapp EW.
    Genome Inform; 2007; 18():192-205. PubMed ID: 18546487
    [Abstract] [Full Text] [Related]

  • 42. Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments.
    Freed AS, Garde S, Cramer SM.
    J Phys Chem B; 2011 Nov 17; 115(45):13320-7. PubMed ID: 21942536
    [Abstract] [Full Text] [Related]

  • 43. Molecular dynamics simulation of discontinuous volume phase transitions in highly-charged crosslinked polyelectrolyte networks with explicit counterions in good solvent.
    Yin DW, Yan Q, de Pablo JJ.
    J Chem Phys; 2005 Nov 01; 123(17):174909. PubMed ID: 16375571
    [Abstract] [Full Text] [Related]

  • 44. Absolute hydration entropies of alkali metal ions from molecular dynamics simulations.
    Carlsson J, Aqvist J.
    J Phys Chem B; 2009 Jul 30; 113(30):10255-60. PubMed ID: 19580304
    [Abstract] [Full Text] [Related]

  • 45. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.
    Pearlman DA, Rao BG, Charifson P.
    Proteins; 2008 May 15; 71(3):1519-38. PubMed ID: 18300249
    [Abstract] [Full Text] [Related]

  • 46. Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulations.
    Baron R, McCammon JA.
    Biochemistry; 2007 Sep 18; 46(37):10629-42. PubMed ID: 17718514
    [Abstract] [Full Text] [Related]

  • 47. Monte Carlo simulations of the solution structure of simple alcohols in water-acetonitrile mixtures.
    Nagy PI, Erhardt PW.
    J Phys Chem B; 2005 Mar 31; 109(12):5855-72. PubMed ID: 16851638
    [Abstract] [Full Text] [Related]

  • 48. Entropy in biological binding processes: estimation of translational entropy loss.
    Murphy KP, Xie D, Thompson KS, Amzel LM, Freire E.
    Proteins; 1994 Jan 31; 18(1):63-7. PubMed ID: 8146122
    [Abstract] [Full Text] [Related]

  • 49. Studying excited states of proteins by NMR spectroscopy.
    Mulder FA, Mittermaier A, Hon B, Dahlquist FW, Kay LE.
    Nat Struct Biol; 2001 Nov 31; 8(11):932-5. PubMed ID: 11685237
    [Abstract] [Full Text] [Related]

  • 50. Fragment-based computation of binding free energies by systematic sampling.
    Clark M, Meshkat S, Talbot GT, Carnevali P, Wiseman JS.
    J Chem Inf Model; 2009 Aug 31; 49(8):1901-13. PubMed ID: 19610599
    [Abstract] [Full Text] [Related]

  • 51. 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]

  • 52. Density functional theory of solvation and its relation to implicit solvent models.
    Ramirez R, Borgis D.
    J Phys Chem B; 2005 Apr 14; 109(14):6754-63. PubMed ID: 16851760
    [Abstract] [Full Text] [Related]

  • 53. Comparison between computational alanine scanning and per-residue binding free energy decomposition for protein-protein association using MM-GBSA: application to the TCR-p-MHC complex.
    Zoete V, Michielin O.
    Proteins; 2007 Jun 01; 67(4):1026-47. PubMed ID: 17377991
    [Abstract] [Full Text] [Related]

  • 54. Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation.
    LeBard DN, Matyushov DV.
    J Chem Phys; 2008 Apr 21; 128(15):155106. PubMed ID: 18433287
    [Abstract] [Full Text] [Related]

  • 55. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
    Warren GL, Patel S.
    J Chem Phys; 2007 Aug 14; 127(6):064509. PubMed ID: 17705614
    [Abstract] [Full Text] [Related]

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  • 57. Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.
    Imai T, Kovalenko A, Hirata F.
    J Phys Chem B; 2005 Apr 14; 109(14):6658-65. PubMed ID: 16851748
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