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Journal Abstract Search

224 related items for PubMed ID: 20426450

  • 1. Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.
    Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO.
    J Phys Chem B; 2010 May 20; 114(19):6394-400. PubMed ID: 20426450
    [Abstract] [Full Text] [Related]

  • 2. Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.
    DeVane R, Jusufi A, Shinoda W, Chiu CC, Nielsen SO, Moore PB, Klein ML.
    J Phys Chem B; 2010 Dec 16; 114(49):16364-72. PubMed ID: 21090655
    [Abstract] [Full Text] [Related]

  • 3. Note on the free energy of transfer of fullerene C60 simulated by using classical potentials.
    Maciel C, Fileti EE, Rivelino R.
    J Phys Chem B; 2009 May 21; 113(20):7045-8. PubMed ID: 19405490
    [Abstract] [Full Text] [Related]

  • 4. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data.
    DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB.
    J Phys Chem B; 2010 May 20; 114(19):6386-93. PubMed ID: 20426449
    [Abstract] [Full Text] [Related]

  • 5. Dynamics of water in the hydration shells of C60: molecular dynamics simulation using a coarse-grained model.
    Choudhury N.
    J Phys Chem B; 2007 Sep 06; 111(35):10474-80. PubMed ID: 17696526
    [Abstract] [Full Text] [Related]

  • 6. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites.
    Rzepiela AJ, Louhivuori M, Peter C, Marrink SJ.
    Phys Chem Chem Phys; 2011 Jun 14; 13(22):10437-48. PubMed ID: 21494747
    [Abstract] [Full Text] [Related]

  • 7. Self-assembling dipeptides: including solvent degrees of freedom in a coarse-grained model.
    Villa A, van der Vegt NF, Peter C.
    Phys Chem Chem Phys; 2009 Mar 28; 11(12):2068-76. PubMed ID: 19280017
    [Abstract] [Full Text] [Related]

  • 8. Transferability of coarse-grained force fields: the polymer case.
    Carbone P, Varzaneh HA, Chen X, Müller-Plathe F.
    J Chem Phys; 2008 Feb 14; 128(6):064904. PubMed ID: 18282071
    [Abstract] [Full Text] [Related]

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  • 10. A multiscale coarse-graining method for biomolecular systems.
    Izvekov S, Voth GA.
    J Phys Chem B; 2005 Feb 24; 109(7):2469-73. PubMed ID: 16851243
    [Abstract] [Full Text] [Related]

  • 11. The CUMULUS coarse graining method: transferable potentials for water and solutes.
    van Hoof B, Markvoort AJ, van Santen RA, Hilbers PA.
    J Phys Chem B; 2011 Aug 25; 115(33):10001-12. PubMed ID: 21740053
    [Abstract] [Full Text] [Related]

  • 12. A molecular dynamics simulation study of C60 fullerenes inside a dimyristoylphosphatidylcholine lipid bilayer.
    Li L, Davande H, Bedrov D, Smith GD.
    J Phys Chem B; 2007 Apr 26; 111(16):4067-72. PubMed ID: 17402771
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  • 15. Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation.
    Izvekov S, Violi A, Voth GA.
    J Phys Chem B; 2005 Sep 15; 109(36):17019-24. PubMed ID: 16853168
    [Abstract] [Full Text] [Related]

  • 16. Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.
    Villa A, Peter C, van der Vegt NF.
    Phys Chem Chem Phys; 2009 Mar 28; 11(12):2077-86. PubMed ID: 19280018
    [Abstract] [Full Text] [Related]

  • 17. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK, Liwo A, Scheraga HA.
    J Chem Phys; 2007 Oct 21; 127(15):155103. PubMed ID: 17949219
    [Abstract] [Full Text] [Related]

  • 18. A novel hybrid carbon material.
    Nasibulin AG, Pikhitsa PV, Jiang H, Brown DP, Krasheninnikov AV, Anisimov AS, Queipo P, Moisala A, Gonzalez D, Lientschnig G, Hassanien A, Shandakov SD, Lolli G, Resasco DE, Choi M, Tománek D, Kauppinen EI.
    Nat Nanotechnol; 2007 Mar 21; 2(3):156-61. PubMed ID: 18654245
    [Abstract] [Full Text] [Related]

  • 19. Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel.
    Shi Q, Izvekov S, Voth GA.
    J Phys Chem B; 2006 Aug 10; 110(31):15045-8. PubMed ID: 16884212
    [Abstract] [Full Text] [Related]

  • 20. Hydrophobic interactions with coarse-grained model for water.
    Egorov SA.
    J Chem Phys; 2011 Jun 21; 134(23):234509. PubMed ID: 21702569
    [Abstract] [Full Text] [Related]

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