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441 related items for PubMed ID: 22149813

  • 21. Coarse-Grained Molecular Dynamics Force-Field for Polyacrylamide in Infinite Dilution Derived from Iterative Boltzmann Inversion and MARTINI Force-Field.
    Banerjee P, Roy S, Nair N.
    J Phys Chem B; 2018 Feb 01; 122(4):1516-1524. PubMed ID: 29278334
    [Abstract] [Full Text] [Related]

  • 22. The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems.
    Das A, Lu L, Andersen HC, Voth GA.
    J Chem Phys; 2012 May 21; 136(19):194115. PubMed ID: 22612088
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  • 23. Multiscale modeling of cellular actin filaments: from atomistic molecular to coarse-grained dynamics.
    Deriu MA, Shkurti A, Paciello G, Bidone TC, Morbiducci U, Ficarra E, Audenino A, Acquaviva A.
    Proteins; 2012 Jun 21; 80(6):1598-609. PubMed ID: 22411308
    [Abstract] [Full Text] [Related]

  • 24. An ellipsoid-chain model for conjugated polymer solutions.
    Lee CK, Hua CC, Chen SA.
    J Chem Phys; 2012 Feb 28; 136(8):084901. PubMed ID: 22380060
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  • 25. 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
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  • 26. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials.
    Wang YL, Lyubartsev A, Lu ZY, Laaksonen A.
    Phys Chem Chem Phys; 2013 May 28; 15(20):7701-12. PubMed ID: 23595102
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  • 27. 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
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  • 28. Coarse-Grained Model Incorporating Short- and Long-Range Effective Potentials for the Fast Simulation of Micelle Formation in Solutions of Ionic Surfactants.
    Peroukidis SD, Stott IP, Mavrantzas VG.
    J Phys Chem B; 2022 Jul 28; 126(29):5555-5569. PubMed ID: 35838193
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  • 29. Optimization of coarse-grained interaction potential: inside inherent limitations of coarse-graining methods.
    Kowalczyk P, Gauden PA, Ciach A.
    J Phys Chem B; 2011 Jun 02; 115(21):6985-94. PubMed ID: 21557601
    [Abstract] [Full Text] [Related]

  • 30. The multiscale coarse-graining method. V. Isothermal-isobaric ensemble.
    Das A, Andersen HC.
    J Chem Phys; 2010 Apr 28; 132(16):164106. PubMed ID: 20441257
    [Abstract] [Full Text] [Related]

  • 31. Thermodynamic transferability of coarse-grained potentials for polymer-additive systems.
    Brini E, Herbers CR, Deichmann G, van der Vegt NF.
    Phys Chem Chem Phys; 2012 Sep 14; 14(34):11896-903. PubMed ID: 22722404
    [Abstract] [Full Text] [Related]

  • 32. Parametrization of Backbone Flexibility in a Coarse-Grained Force Field for Proteins (COFFDROP) Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of All Possible Two-Residue Peptides.
    Frembgen-Kesner T, Andrews CT, Li S, Ngo NA, Shubert SA, Jain A, Olayiwola OJ, Weishaar MR, Elcock AH.
    J Chem Theory Comput; 2015 May 12; 11(5):2341-54. PubMed ID: 26574429
    [Abstract] [Full Text] [Related]

  • 33. IBIsCO: a molecular dynamics simulation package for coarse-grained simulation.
    Karimi-Varzaneh HA, Qian HJ, Chen X, Carbone P, Müller-Plathe F.
    J Comput Chem; 2011 May 12; 32(7):1475-87. PubMed ID: 21425295
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  • 34. 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]

  • 35. 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
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  • 36. An automatic coarse-graining and fine-graining simulation method: application on polyethylene.
    Chen LJ, Qian HJ, Lu ZY, Li ZS, Sun CC.
    J Phys Chem B; 2006 Nov 30; 110(47):24093-100. PubMed ID: 17125381
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  • 37. COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino Acids.
    Andrews CT, Elcock AH.
    J Chem Theory Comput; 2014 Nov 11; 10(11):5178-5194. PubMed ID: 25400526
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  • 38. Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations.
    Wassenaar TA, Ingólfsson HI, Priess M, Marrink SJ, Schäfer LV.
    J Phys Chem B; 2013 Apr 04; 117(13):3516-30. PubMed ID: 23406326
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  • 39. 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
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  • 40. A coarse-grained MARTINI model of polyethylene glycol and of polyoxyethylene alkyl ether surfactants.
    Rossi G, Fuchs PF, Barnoud J, Monticelli L.
    J Phys Chem B; 2012 Dec 13; 116(49):14353-62. PubMed ID: 23137188
    [Abstract] [Full Text] [Related]

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