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Journal Abstract Search

2518 related items for PubMed ID: 19643976

  • 21.
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  • 22. AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.
    Gallicchio E, Levy RM.
    J Comput Chem; 2004 Mar; 25(4):479-99. PubMed ID: 14735568
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  • 23.
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  • 24. A refined model of the thyrotropin-releasing hormone (TRH) receptor binding pocket. Novel mixed mode Monte Carlo/stochastic dynamics simulations of the complex between TRH and TRH receptor.
    Laakkonen LJ, Guarnieri F, Perlman JH, Gershengorn MC, Osman R.
    Biochemistry; 1996 Jun 18; 35(24):7651-63. PubMed ID: 8672466
    [Abstract] [Full Text] [Related]

  • 25. Protein-protein recognition analyzed by docking simulation.
    Cherfils J, Duquerroy S, Janin J.
    Proteins; 1991 Jun 18; 11(4):271-80. PubMed ID: 1758882
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  • 26. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
    Mackerell AD, Feig M, Brooks CL.
    J Comput Chem; 2004 Aug 18; 25(11):1400-15. PubMed ID: 15185334
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  • 27. (Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding.
    Baron R, McCammon JA.
    Chemphyschem; 2008 May 16; 9(7):983-8. PubMed ID: 18418822
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  • 30. A molecular thermodynamic view of DNA-drug interactions: a case study of 25 minor-groove binders.
    Shaikh SA, Ahmed SR, Jayaram B.
    Arch Biochem Biophys; 2004 Sep 01; 429(1):81-99. PubMed ID: 15288812
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  • 31. What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations?
    Wang W, Wang J, Kollman PA.
    Proteins; 1999 Feb 15; 34(3):395-402. PubMed ID: 10024025
    [Abstract] [Full Text] [Related]

  • 32. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May 15; 10(3):275-80. PubMed ID: 17554853
    [Abstract] [Full Text] [Related]

  • 33. Change in protein flexibility upon complex formation: analysis of Ras-Raf using molecular dynamics and a molecular framework approach.
    Gohlke H, Kuhn LA, Case DA.
    Proteins; 2004 Aug 01; 56(2):322-37. PubMed ID: 15211515
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  • 34.
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  • 35. Predicting proteinase specificities from free energy calculations.
    Mekonnen SM, Olufsen M, Smalås AO, Brandsdal BO.
    J Mol Graph Model; 2006 Oct 01; 25(2):176-85. PubMed ID: 16386933
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  • 38. On the role of electrostatic interactions in the design of protein-protein interfaces.
    Sheinerman FB, Honig B.
    J Mol Biol; 2002 Apr 19; 318(1):161-77. PubMed ID: 12054776
    [Abstract] [Full Text] [Related]

  • 39. Flexible relaxation of rigid-body docking solutions.
    Król M, Tournier AL, Bates PA.
    Proteins; 2007 Jul 01; 68(1):159-69. PubMed ID: 17397060
    [Abstract] [Full Text] [Related]

  • 40. ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.
    Meiler J, Baker D.
    Proteins; 2006 Nov 15; 65(3):538-48. PubMed ID: 16972285
    [Abstract] [Full Text] [Related]

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