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Pubmed for Handhelds

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Journal Abstract Search

242 related items for PubMed ID: 16028234

  • 61. ForceFit: a code to fit classical force fields to quantum mechanical potential energy surfaces.
    Waldher B, Kuta J, Chen S, Henson N, Clark AE.
    J Comput Chem; 2010 Sep; 31(12):2307-16. PubMed ID: 20340109
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  • 62. Nonreactive molecular dynamics force field for crystalline hexahydro-1,3,5-trinitro-1,3,5 triazine.
    Boyd S, Gravelle M, Politzer P.
    J Chem Phys; 2006 Mar 14; 124(10):104508. PubMed ID: 16542089
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  • 65. Molecular dynamics simulations of the chromophore binding site of Deinococcus radiodurans bacteriophytochrome using new force field parameters for the phytochromobilin chromophore.
    Kaminski S, Daminelli G, Mroginski MA.
    J Phys Chem B; 2009 Jan 29; 113(4):945-58. PubMed ID: 19123828
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  • 67. Protein-inhibitor flexible docking by a multicanonical sampling: native complex structure with the lowest free energy and a free-energy barrier distinguishing the native complex from the others.
    Kamiya N, Yonezawa Y, Nakamura H, Higo J.
    Proteins; 2008 Jan 01; 70(1):41-53. PubMed ID: 17636570
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  • 70. Dynamic Charge Equilibration-Morse stretch force field: application to energetics of pure silica zeolites.
    Sefcik J, Demiralp E, Cagin T, Goddard WA.
    J Comput Chem; 2002 Dec 01; 23(16):1507-14. PubMed ID: 12395420
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  • 71. A QM-MM interface between CHARMM and TURBOMOLE: implementation and application to systems in bulk phase and biologically active systems.
    Loferer MJ, Loeffler HH, Liedl KR.
    J Comput Chem; 2003 Jul 30; 24(10):1240-9. PubMed ID: 12820132
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  • 75. Fluorescent sterols as tools in membrane biophysics and cell biology.
    Wüstner D.
    Chem Phys Lipids; 2007 Mar 30; 146(1):1-25. PubMed ID: 17241621
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  • 77. Tailor-made force fields for crystal-structure prediction.
    Neumann MA.
    J Phys Chem B; 2008 Aug 14; 112(32):9810-29. PubMed ID: 18642947
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  • 78. Binding of cationic and neutral phenanthridine intercalators to a DNA oligomer is controlled by dispersion energy: quantum chemical calculations and molecular mechanics simulations.
    Kubar T, Hanus M, Ryjácek F, Hobza P.
    Chemistry; 2005 Dec 16; 12(1):280-90. PubMed ID: 16294358
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  • 80. The SAAP force field: development of the single amino acid potentials for 20 proteinogenic amino acids and Monte Carlo molecular simulation for short peptides.
    Iwaoka M, Kimura N, Yosida D, Minezaki T.
    J Comput Chem; 2009 Oct 16; 30(13):2039-55. PubMed ID: 19140140
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