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Journal Abstract Search

243 related items for PubMed ID: 19044946

  • 21. Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly.
    Praprotnik M, Delle Site L, Kremer K.
    J Chem Phys; 2005 Dec 08; 123(22):224106. PubMed ID: 16375469
    [Abstract] [Full Text] [Related]

  • 22. Hamiltonian replica-permutation method and its applications to an alanine dipeptide and amyloid-β(29-42) peptides.
    Itoh SG, Okumura H.
    J Comput Chem; 2013 Nov 05; 34(29):2493-7. PubMed ID: 23925979
    [Abstract] [Full Text] [Related]

  • 23. On use of the Amber potential with the Langevin dipole method.
    Mijajlovic M, Biggs MJ.
    J Phys Chem B; 2007 Jul 05; 111(26):7591-602. PubMed ID: 17550281
    [Abstract] [Full Text] [Related]

  • 24. Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo.
    Arya G, Schlick T.
    J Chem Phys; 2007 Jan 28; 126(4):044107. PubMed ID: 17286462
    [Abstract] [Full Text] [Related]

  • 25. Improved sampling for simulations of interfacial membrane proteins: application of generalized shadow hybrid Monte Carlo to a peptide toxin/bilayer system.
    Wee CL, Sansom MS, Reich S, Akhmatskaya E.
    J Phys Chem B; 2008 May 08; 112(18):5710-7. PubMed ID: 18412407
    [Abstract] [Full Text] [Related]

  • 26. Preserving the Boltzmann ensemble in replica-exchange molecular dynamics.
    Cooke B, Schmidler SC.
    J Chem Phys; 2008 Oct 28; 129(16):164112. PubMed ID: 19045252
    [Abstract] [Full Text] [Related]

  • 27. Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations.
    Baron R, de Vries AH, Hünenberger PH, van Gunsteren WF.
    J Phys Chem B; 2006 Aug 10; 110(31):15602-14. PubMed ID: 16884285
    [Abstract] [Full Text] [Related]

  • 28. Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.
    Okumura H.
    J Chem Phys; 2008 Sep 28; 129(12):124116. PubMed ID: 19045015
    [Abstract] [Full Text] [Related]

  • 29. Comparison of atomic-level and coarse-grained models for liquid hydrocarbons from molecular dynamics configurational entropy estimates.
    Baron R, de Vries AH, Hünenberger PH, van Gunsteren WF.
    J Phys Chem B; 2006 Apr 27; 110(16):8464-73. PubMed ID: 16623533
    [Abstract] [Full Text] [Related]

  • 30. 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
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  • 34. Comparative molecular dynamics and Monte Carlo study of statistical properties for coarse-grained heteropolymers.
    Schluttig J, Bachmann M, Janke W.
    J Comput Chem; 2008 Nov 30; 29(15):2603-12. PubMed ID: 18478584
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  • 37. Coarse-grained modeling for macromolecular chemistry.
    Karimi-Varzaneh HA, Müller-Plathe F.
    Top Curr Chem; 2012 Nov 30; 307():295-321. PubMed ID: 21360319
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  • 39. 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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  • 40. Molecular renormalization group coarse-graining of electrolyte solutions: application to aqueous NaCl and KCl.
    Savelyev A, Papoian GA.
    J Phys Chem B; 2009 Jun 04; 113(22):7785-93. PubMed ID: 19425537
    [Abstract] [Full Text] [Related]

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