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727 related items for PubMed ID: 15481087

  • 1. Modeling loop reorganization free energies of acetylcholinesterase: a comparison of explicit and implicit solvent models.
    Olson MA.
    Proteins; 2004 Dec 01; 57(4):645-50. PubMed ID: 15481087
    [Abstract] [Full Text] [Related]

  • 2. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
    Vorobjev YN, Almagro JC, Hermans J.
    Proteins; 1998 Sep 01; 32(4):399-413. PubMed ID: 9726412
    [Abstract] [Full Text] [Related]

  • 3. Free energy landscape of protein folding in water: explicit vs. implicit solvent.
    Zhou R.
    Proteins; 2003 Nov 01; 53(2):148-61. PubMed ID: 14517967
    [Abstract] [Full Text] [Related]

  • 4. Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method.
    Lee MS, Olson MA.
    J Phys Chem B; 2005 Mar 24; 109(11):5223-36. PubMed ID: 16863188
    [Abstract] [Full Text] [Related]

  • 5. Calculation of absolute ligand binding free energy to a ribosome-targeting protein as a function of solvent model.
    Lee MS, Olson MA.
    J Phys Chem B; 2008 Oct 23; 112(42):13411-7. PubMed ID: 18821791
    [Abstract] [Full Text] [Related]

  • 6. The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators.
    Gallicchio E, Zhang LY, Levy RM.
    J Comput Chem; 2002 Apr 15; 23(5):517-29. PubMed ID: 11948578
    [Abstract] [Full Text] [Related]

  • 7. Conformational energy landscape of the acyl pocket loop in acetylcholinesterase: a Monte Carlo-generalized Born model study.
    Carlacci L, Millard CB, Olson MA.
    Biophys Chem; 2004 Oct 01; 111(2):143-57. PubMed ID: 15381312
    [Abstract] [Full Text] [Related]

  • 8. How well does Poisson-Boltzmann implicit solvent agree with explicit solvent? A quantitative analysis.
    Tan C, Yang L, Luo R.
    J Phys Chem B; 2006 Sep 21; 110(37):18680-7. PubMed ID: 16970499
    [Abstract] [Full Text] [Related]

  • 9. Proton binding to proteins: pK(a) calculations with explicit and implicit solvent models.
    Simonson T, Carlsson J, Case DA.
    J Am Chem Soc; 2004 Apr 07; 126(13):4167-80. PubMed ID: 15053606
    [Abstract] [Full Text] [Related]

  • 10. AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.
    Gallicchio E, Levy RM.
    J Comput Chem; 2004 Mar 07; 25(4):479-99. PubMed ID: 14735568
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  • 19. Implicit solvent simulations of DNA and DNA-protein complexes: agreement with explicit solvent vs experiment.
    Chocholousová J, Feig M.
    J Phys Chem B; 2006 Aug 31; 110(34):17240-51. PubMed ID: 16928023
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