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1296 related items for PubMed ID: 21740053

  • 1. 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]

  • 2. 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]

  • 3. 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]

  • 4. 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]

  • 5. 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]

  • 6. 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]

  • 7. 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]

  • 8. 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]

  • 9. 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]

  • 10. 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]

  • 11. 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]

  • 12. The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields.
    Das A, Andersen HC.
    J Chem Phys; 2012 May 21; 136(19):194113. PubMed ID: 22612086
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations.
    Riniker S, van Gunsteren WF.
    J Chem Phys; 2011 Feb 28; 134(8):084110. PubMed ID: 21361530
    [Abstract] [Full Text] [Related]

  • 15. 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]

  • 16. A coarse-grained model for polyethylene glycol polymer.
    Wang Q, Keffer DJ, Nicholson DM.
    J Chem Phys; 2011 Dec 07; 135(21):214903. PubMed ID: 22149813
    [Abstract] [Full Text] [Related]

  • 17. The multiscale coarse-graining method. VI. Implementation of three-body coarse-grained potentials.
    Larini L, Lu L, Voth GA.
    J Chem Phys; 2010 Apr 28; 132(16):164107. PubMed ID: 20441258
    [Abstract] [Full Text] [Related]

  • 18. 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]

  • 19. Toward a Coarse Graining/All Atoms Force Field (CG/AA) from a Multiscale Optimization Method: An Application to the MCM-41 Mesoporous Silicates.
    Ghoufi A, Morineau D, Lefort R, Malfreyt P.
    J Chem Theory Comput; 2010 Oct 12; 6(10):3212-22. PubMed ID: 26616783
    [Abstract] [Full Text] [Related]

  • 20. The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields.
    Das A, Andersen HC.
    J Chem Phys; 2012 May 21; 136(19):194114. PubMed ID: 22612087
    [Abstract] [Full Text] [Related]

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