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Journal Abstract Search

309 related items for PubMed ID: 26575935

  • 41. A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.
    Sun H, Wen J, Zhao Y, Li B, McCammon JA.
    J Chem Phys; 2015 Dec 28; 143(24):243110. PubMed ID: 26723595
    [Abstract] [Full Text] [Related]

  • 42. Solvation forces on biomolecular structures: a comparison of explicit solvent and Poisson-Boltzmann models.
    Wagoner J, Baker NA.
    J Comput Chem; 2004 Oct 28; 25(13):1623-9. PubMed ID: 15264256
    [Abstract] [Full Text] [Related]

  • 43. 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]

  • 44. Differential geometry based solvation model II: Lagrangian formulation.
    Chen Z, Baker NA, Wei GW.
    J Math Biol; 2011 Dec 01; 63(6):1139-200. PubMed ID: 21279359
    [Abstract] [Full Text] [Related]

  • 45. An MM/3D-RISM approach for ligand binding affinities.
    Genheden S, Luchko T, Gusarov S, Kovalenko A, Ryde U.
    J Phys Chem B; 2010 Jul 01; 114(25):8505-16. PubMed ID: 20524650
    [Abstract] [Full Text] [Related]

  • 46. Comparison of charge models for fixed-charge force fields: small-molecule hydration free energies in explicit solvent.
    Mobley DL, Dumont E, Chodera JD, Dill KA.
    J Phys Chem B; 2007 Mar 08; 111(9):2242-54. PubMed ID: 17291029
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  • 47. Nonpolar Solvation Free Energy from Proximal Distribution Functions.
    Ou SC, Drake JA, Pettitt BM.
    J Phys Chem B; 2017 Apr 20; 121(15):3555-3564. PubMed ID: 27992228
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  • 49. Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion.
    Li L, Fennell CJ, Dill KA.
    J Chem Phys; 2014 Dec 14; 141(22):22D518. PubMed ID: 25494789
    [Abstract] [Full Text] [Related]

  • 50. Predicting hydration free energies of polychlorinated aromatic compounds from the SAMPL-3 data set with FiSH and LIE models.
    Sulea T, Purisima EO.
    J Comput Aided Mol Des; 2012 May 14; 26(5):661-7. PubMed ID: 22190141
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  • 54. Fast estimation of solvation free energies for diverse chemical species.
    Boyer RD, Bryan RL.
    J Phys Chem B; 2012 Mar 29; 116(12):3772-9. PubMed ID: 22339050
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  • 56. Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.
    Levy RM, Gallicchio E.
    Annu Rev Phys Chem; 1998 Mar 29; 49():531-67. PubMed ID: 9933909
    [Abstract] [Full Text] [Related]

  • 57. Performance of SM8 on a test to predict small-molecule solvation free energies.
    Chamberlin AC, Cramer CJ, Truhlar DG.
    J Phys Chem B; 2008 Jul 24; 112(29):8651-5. PubMed ID: 18582013
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  • 59. An efficient computational method for calculating ligand binding affinities.
    Suenaga A, Okimoto N, Hirano Y, Fukui K.
    PLoS One; 2012 Jul 24; 7(8):e42846. PubMed ID: 22916168
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