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Journal Abstract Search

590 related items for PubMed ID: 17120231

  • 21. Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.
    Olson MA, Feig M, Brooks CL.
    J Comput Chem; 2008 Apr 15; 29(5):820-31. PubMed ID: 17876760
    [Abstract] [Full Text] [Related]

  • 22. Convergence of replica exchange molecular dynamics.
    Zhang W, Wu C, Duan Y.
    J Chem Phys; 2005 Oct 15; 123(15):154105. PubMed ID: 16252940
    [Abstract] [Full Text] [Related]

  • 23. Hamiltonian and distance replica exchange method studies of Met-enkephalin.
    Su L, Cukier RI.
    J Phys Chem B; 2007 Oct 25; 111(42):12310-21. PubMed ID: 17918879
    [Abstract] [Full Text] [Related]

  • 24. Helix-coil transition of alanine peptides in water: force field dependence on the folded and unfolded structures.
    Gnanakaran S, García AE.
    Proteins; 2005 Jun 01; 59(4):773-82. PubMed ID: 15815975
    [Abstract] [Full Text] [Related]

  • 25. Characterization of flexible molecules in solution: the RGDW peptide.
    Bartels C, Stote RH, Karplus M.
    J Mol Biol; 1998 Dec 18; 284(5):1641-60. PubMed ID: 9878376
    [Abstract] [Full Text] [Related]

  • 26. Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm.
    Zhou R.
    J Mol Graph Model; 2004 May 18; 22(5):451-63. PubMed ID: 15099840
    [Abstract] [Full Text] [Related]

  • 27. Enhanced conformational sampling of carbohydrates by Hamiltonian replica-exchange simulation.
    Mishra SK, Kara M, Zacharias M, Koca J.
    Glycobiology; 2014 Jan 18; 24(1):70-84. PubMed ID: 24134878
    [Abstract] [Full Text] [Related]

  • 28. Calculation of absolute protein-ligand binding free energy using distributed replica sampling.
    Rodinger T, Howell PL, Pomès R.
    J Chem Phys; 2008 Oct 21; 129(15):155102. PubMed ID: 19045232
    [Abstract] [Full Text] [Related]

  • 29. Application of torsion angle molecular dynamics for efficient sampling of protein conformations.
    Chen J, Im W, Brooks CL.
    J Comput Chem; 2005 Nov 30; 26(15):1565-78. PubMed ID: 16145655
    [Abstract] [Full Text] [Related]

  • 30. Reproducible polypeptide folding and structure prediction using molecular dynamics simulations.
    Seibert MM, Patriksson A, Hess B, van der Spoel D.
    J Mol Biol; 2005 Nov 18; 354(1):173-83. PubMed ID: 16236315
    [Abstract] [Full Text] [Related]

  • 31. A bias-exchange approach to protein folding.
    Piana S, Laio A.
    J Phys Chem B; 2007 May 03; 111(17):4553-9. PubMed ID: 17419610
    [Abstract] [Full Text] [Related]

  • 32. Folding of Trp-cage mini protein using temperature and biasing potential replica-exchange molecular dynamics simulations.
    Kannan S, Zacharias M.
    Int J Mol Sci; 2009 Mar 03; 10(3):1121-37. PubMed ID: 19399241
    [Abstract] [Full Text] [Related]

  • 33. Cooperative folding mechanism of a beta-hairpin peptide studied by a multicanonical replica-exchange molecular dynamics simulation.
    Yoda T, Sugita Y, Okamoto Y.
    Proteins; 2007 Mar 01; 66(4):846-59. PubMed ID: 17173285
    [Abstract] [Full Text] [Related]

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  • 36. Hamiltonian replica exchange molecular dynamics using soft-core interactions.
    Hritz J, Oostenbrink C.
    J Chem Phys; 2008 Apr 14; 128(14):144121. PubMed ID: 18412437
    [Abstract] [Full Text] [Related]

  • 37. Reversible scaling of dihedral angle barriers during molecular dynamics to improve structure prediction of cyclic peptides.
    Riemann RN, Zacharias M.
    J Pept Res; 2004 Apr 14; 63(4):354-64. PubMed ID: 15102053
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