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Journal Abstract Search

259 related items for PubMed ID: 31005091

  • 21. 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]

  • 22. Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence.
    Davtyan A, Dama JF, Voth GA, Andersen HC.
    J Chem Phys; 2015 Apr 21; 142(15):154104. PubMed ID: 25903863
    [Abstract] [Full Text] [Related]

  • 23. A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization.
    Li Z, Bian X, Yang X, Karniadakis GE.
    J Chem Phys; 2016 Jul 28; 145(4):044102. PubMed ID: 27475343
    [Abstract] [Full Text] [Related]

  • 24. 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]

  • 25. Accuracy, Transferability, and Efficiency of Coarse-Grained Models of Molecular Liquids.
    Guenza MG, Dinpajooh M, McCarty J, Lyubimov IY.
    J Phys Chem B; 2018 Nov 15; 122(45):10257-10278. PubMed ID: 30153027
    [Abstract] [Full Text] [Related]

  • 26. 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]

  • 27. BOCS: Bottom-up Open-source Coarse-graining Software.
    Dunn NJH, Lebold KM, DeLyser MR, Rudzinski JF, Noid WG.
    J Phys Chem B; 2018 Apr 05; 122(13):3363-3377. PubMed ID: 29227668
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  • 29. Structural Coarse-Graining via Multiobjective Optimization with Differentiable Simulation.
    Wu Z, Zhou T.
    J Chem Theory Comput; 2024 Mar 26; 20(6):2605-2617. PubMed ID: 38483262
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  • 33. Constructing Optimal Coarse-Grained Sites of Huge Biomolecules by Fluctuation Maximization.
    Li M, Zhang JZ, Xia F.
    J Chem Theory Comput; 2016 Apr 12; 12(4):2091-100. PubMed ID: 26930392
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  • 34. Multiscale Coarse-Graining of Mixed Phospholipid/Cholesterol Bilayers.
    Izvekov S, Voth GA.
    J Chem Theory Comput; 2006 May 12; 2(3):637-48. PubMed ID: 26626671
    [Abstract] [Full Text] [Related]

  • 35. Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation.
    Sanyal T, Shell MS.
    J Chem Phys; 2016 Jul 21; 145(3):034109. PubMed ID: 27448876
    [Abstract] [Full Text] [Related]

  • 36. 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]

  • 37. Energy-conserving coarse-graining of complex molecules.
    Español P, Serrano M, Pagonabarraga I, Zúñiga I.
    Soft Matter; 2016 May 25; 12(21):4821-37. PubMed ID: 27127809
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  • 39. 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
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