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194 related items for PubMed ID: 22651887

  • 41. Hydration and coordination of K+ solvation in water from ab initio molecular-dynamics simulation.
    Liu Y, Lu H, Wu Y, Hu T, Li Q.
    J Chem Phys; 2010 Mar 28; 132(12):124503. PubMed ID: 20370129
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  • 42. Spatial hydration maps and dynamics of naphthalene in ambient and supercritical water.
    Svishchev IM, Plugatyr A, Nahtigal IG.
    J Chem Phys; 2008 Mar 28; 128(12):124514. PubMed ID: 18376950
    [Abstract] [Full Text] [Related]

  • 43. Effect of water on solvation structure and dynamics of ions in the peptide bond environment: importance of hydrogen bonding and dynamics of the solvents.
    Pattanayak SK, Chowdhuri S.
    J Phys Chem B; 2011 Nov 17; 115(45):13241-52. PubMed ID: 21974748
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  • 44. Effect of temperature, pressure, and cosolvents on structural and dynamic properties of the hydration shell of SNase: a molecular dynamics computer simulation study.
    Smolin N, Winter R.
    J Phys Chem B; 2008 Jan 24; 112(3):997-1006. PubMed ID: 18171045
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  • 48. Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional.
    McGrath MJ, Kuo IF, Siepmann JI.
    Phys Chem Chem Phys; 2011 Nov 28; 13(44):19943-50. PubMed ID: 21952178
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  • 49. A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models.
    Chatterjee S, Debenedetti PG, Stillinger FH, Lynden-Bell RM.
    J Chem Phys; 2008 Mar 28; 128(12):124511. PubMed ID: 18376947
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  • 51. Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.
    Shirts MR, Pande VS.
    J Chem Phys; 2005 Apr 01; 122(13):134508. PubMed ID: 15847482
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  • 53. The low-temperature dynamic crossover phenomenon in protein hydration water: simulations vs experiments.
    Lagi M, Chu X, Kim C, Mallamace F, Baglioni P, Chen SH.
    J Phys Chem B; 2008 Feb 14; 112(6):1571-5. PubMed ID: 18205352
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  • 54. Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations.
    McMillin PJ, Alegrete M, Peric M, Luchko T.
    J Phys Chem B; 2020 May 14; 124(19):3962-3972. PubMed ID: 32301326
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  • 55. Properties of ices at 0 K: a test of water models.
    Aragones JL, Noya EG, Abascal JL, Vega C.
    J Chem Phys; 2007 Oct 21; 127(15):154518. PubMed ID: 17949184
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  • 56. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 21; 25(12):1504-14. PubMed ID: 15224394
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  • 57. Melting temperature of ice Ih calculated from coexisting solid-liquid phases.
    Wang J, Yoo S, Bai J, Morris JR, Zeng XC.
    J Chem Phys; 2005 Jul 15; 123(3):36101. PubMed ID: 16080767
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  • 58. Conformational dynamics of cytochrome c: correlation to hydrogen exchange.
    García AE, Hummer G.
    Proteins; 1999 Aug 01; 36(2):175-91. PubMed ID: 10398365
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  • 59. Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
    Park S, Odelius M, Gaffney KJ.
    J Phys Chem B; 2009 Jun 04; 113(22):7825-35. PubMed ID: 19435307
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  • 60. Structure of hydration water in proteins: a comparison of molecular dynamics simulations and database analysis.
    Bhattacharjee N, Biswas P.
    Biophys Chem; 2011 Sep 04; 158(1):73-80. PubMed ID: 21665349
    [Abstract] [Full Text] [Related]

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