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654 related items for PubMed ID: 21090707

  • 1. Determination of protein surface hydration shell free energy of water motion: theoretical study and molecular dynamics simulation.
    Sheu SY, Yang DY.
    J Phys Chem B; 2010 Dec 16; 114(49):16558-66. PubMed ID: 21090707
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  • 2. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E, Bogatko S, Weare JH, Fulton JL, Schenter GK, Bylaska EJ.
    J Chem Phys; 2010 May 21; 132(19):194502. PubMed ID: 20499974
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  • 5. Structure of hydration water in proteins: a comparison of molecular dynamics simulations and database analysis.
    Bhattacharjee N, Biswas P.
    Biophys Chem; 2011 Sep 21; 158(1):73-80. PubMed ID: 21665349
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  • 11. Local order and mobility of water molecules around ambivalent helices.
    Bhattacharjee N, Biswas P.
    J Phys Chem B; 2011 Oct 27; 115(42):12257-65. PubMed ID: 21916474
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  • 12. A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide.
    Boresch S, Willensdorfer M, Steinhauser O.
    J Chem Phys; 2004 Feb 15; 120(7):3333-47. PubMed ID: 15268487
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  • 18. Temperature dependence of protein-hydration hydrodynamics by molecular dynamics simulations.
    Lau EY, Krishnan VV.
    Biophys Chem; 2007 Oct 15; 130(1-2):55-64. PubMed ID: 17720293
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  • 19. 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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  • 20. High-density hydration layer of lysozymes: molecular dynamics decomposition of solution scattering data.
    Merzel F, Smith JC.
    J Chem Inf Model; 2005 Oct 16; 45(6):1593-9. PubMed ID: 16309259
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