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371 related items for PubMed ID: 19814543

  • 1. Inversion of radial distribution functions to pair forces by solving the Yvon-Born-Green equation iteratively.
    Cho HM, Chu JW.
    J Chem Phys; 2009 Oct 07; 131(13):134107. PubMed ID: 19814543
    [Abstract] [Full Text] [Related]

  • 2. Investigation of coarse-grained mappings via an iterative generalized Yvon-Born-Green method.
    Rudzinski JF, Noid WG.
    J Phys Chem B; 2014 Jul 17; 118(28):8295-312. PubMed ID: 24684663
    [Abstract] [Full Text] [Related]

  • 3. 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]

  • 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. 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]

  • 6. 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]

  • 7. 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]

  • 8. 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]

  • 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. Fitting coarse-grained distribution functions through an iterative force-matching method.
    Lu L, Dama JF, Voth GA.
    J Chem Phys; 2013 Sep 28; 139(12):121906. PubMed ID: 24089718
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. 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]

  • 13. Systematic coarse graining from structure using internal states: application to phospholipid/cholesterol bilayer.
    Murtola T, Karttunen M, Vattulainen I.
    J Chem Phys; 2009 Aug 07; 131(5):055101. PubMed ID: 19673586
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. The role of many-body correlations in determining potentials for coarse-grained models of equilibrium structure.
    Rudzinski JF, Noid WG.
    J Phys Chem B; 2012 Jul 26; 116(29):8621-35. PubMed ID: 22564079
    [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. 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]

  • 18. Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration.
    Mullinax JW, Noid WG.
    J Chem Phys; 2010 Sep 28; 133(12):124107. PubMed ID: 20886924
    [Abstract] [Full Text] [Related]

  • 19. Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method.
    Akin-Ojo O, Song Y, Wang F.
    J Chem Phys; 2008 Aug 14; 129(6):064108. PubMed ID: 18715052
    [Abstract] [Full Text] [Related]

  • 20. Bottom-Up Coarse-Graining of Peptide Ensembles and Helix-Coil Transitions.
    Rudzinski JF, Noid WG.
    J Chem Theory Comput; 2015 Mar 10; 11(3):1278-91. PubMed ID: 26579774
    [Abstract] [Full Text] [Related]

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