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Journal Abstract Search

390 related items for PubMed ID: 16853168

  • 1. 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]

  • 2. 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]

  • 3. Modeling real dynamics in the coarse-grained representation of condensed phase systems.
    Izvekov S, Voth GA.
    J Chem Phys; 2006 Oct 21; 125(15):151101. PubMed ID: 17059230
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. A Coarse-Grained Molecular Dynamics Study of Carbon Nanoparticle Aggregation.
    Izvekov S, Violi A.
    J Chem Theory Comput; 2006 May 10; 2(3):504-12. PubMed ID: 26626661
    [Abstract] [Full Text] [Related]

  • 6. Multiscale coarse graining of liquid-state systems.
    Izvekov S, Voth GA.
    J Chem Phys; 2005 Oct 01; 123(13):134105. PubMed ID: 16223273
    [Abstract] [Full Text] [Related]

  • 7. Multiscale coarse-graining of ionic liquids.
    Wang Y, Izvekov S, Yan T, Voth GA.
    J Phys Chem B; 2006 Mar 02; 110(8):3564-75. PubMed ID: 16494412
    [Abstract] [Full Text] [Related]

  • 8. The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation.
    Das A, Andersen HC.
    J Chem Phys; 2009 Jul 21; 131(3):034102. PubMed ID: 19624176
    [Abstract] [Full Text] [Related]

  • 9. 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]

  • 10. Effective force coarse-graining.
    Wang Y, Noid WG, Liu P, Voth GA.
    Phys Chem Chem Phys; 2009 Mar 28; 11(12):2002-15. PubMed ID: 19280011
    [Abstract] [Full Text] [Related]

  • 11. The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain potentials.
    Izvekov S, Chung PW, Rice BM.
    J Chem Phys; 2010 Aug 14; 133(6):064109. PubMed ID: 20707563
    [Abstract] [Full Text] [Related]

  • 12. Multiscale coarse-graining of monosaccharides.
    Liu P, Izvekov S, Voth GA.
    J Phys Chem B; 2007 Oct 04; 111(39):11566-75. PubMed ID: 17850132
    [Abstract] [Full Text] [Related]

  • 13. Coarse-grained molecular dynamics study of cyclic peptide nanotube insertion into a lipid bilayer.
    Hwang H.
    J Phys Chem A; 2009 Apr 23; 113(16):4780-7. PubMed ID: 19035669
    [Abstract] [Full Text] [Related]

  • 14. Two-scale Brownian dynamics of suspensions of charged nanoparticles including electrostatic and hydrodynamic interactions.
    Dahirel V, Jardat M, Dufrêche JF, Turq P.
    J Chem Phys; 2009 Dec 21; 131(23):234105. PubMed ID: 20025312
    [Abstract] [Full Text] [Related]

  • 15. New coarse-graining procedure for the dynamics of charged spherical nanoparticles in solution.
    Dahirel V, Jardat M, Dufrêche JF, Turq P.
    J Chem Phys; 2007 Mar 21; 126(11):114108. PubMed ID: 17381197
    [Abstract] [Full Text] [Related]

  • 16. Coarse-grained molecular dynamics simulations of nanopatterning with multivalent inks.
    Cieplak M, Thompson D.
    J Chem Phys; 2008 Jun 21; 128(23):234906. PubMed ID: 18570527
    [Abstract] [Full Text] [Related]

  • 17. Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials.
    Ashbaugh HS, Patel HA, Kumar SK, Garde S.
    J Chem Phys; 2005 Mar 08; 122(10):104908. PubMed ID: 15836359
    [Abstract] [Full Text] [Related]

  • 18. Coarse-grained force field for the nucleosome from self-consistent multiscaling.
    Voltz K, Trylska J, Tozzini V, Kurkal-Siebert V, Langowski J, Smith J.
    J Comput Chem; 2008 Jul 15; 29(9):1429-39. PubMed ID: 18270964
    [Abstract] [Full Text] [Related]

  • 19. A molecular dynamics simulation study of buckyballs in water: atomistic versus coarse-grained models of C60.
    Choudhury N.
    J Chem Phys; 2006 Jul 21; 125(3):34502. PubMed ID: 16863357
    [Abstract] [Full Text] [Related]

  • 20. The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials.
    Lu L, Voth GA.
    J Chem Phys; 2011 Jun 14; 134(22):224107. PubMed ID: 21682507
    [Abstract] [Full Text] [Related]

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