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Journal Abstract Search

1170 related items for PubMed ID: 17918282

  • 21. A refined, efficient mean solvation force model that includes the interior volume contribution.
    Allison JR, Boguslawski K, Fraternali F, van Gunsteren WF.
    J Phys Chem B; 2011 Apr 21; 115(15):4547-57. PubMed ID: 21434626
    [Abstract] [Full Text] [Related]

  • 22. Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock.
    Zoete V, Grosdidier A, Cuendet M, Michielin O.
    J Mol Recognit; 2010 Apr 21; 23(5):457-61. PubMed ID: 20101644
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  • 23. Effective Born radii in the generalized Born approximation: the importance of being perfect.
    Onufriev A, Case DA, Bashford D.
    J Comput Chem; 2002 Nov 15; 23(14):1297-304. PubMed ID: 12214312
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  • 24. On the nonpolar hydration free energy of proteins: surface area and continuum solvent models for the solute-solvent interaction energy.
    Levy RM, Zhang LY, Gallicchio E, Felts AK.
    J Am Chem Soc; 2003 Aug 06; 125(31):9523-30. PubMed ID: 12889983
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  • 25. Comparison of various implicit solvent models in molecular dynamics simulations of immunoglobulin G light chain dimer.
    Król M.
    J Comput Chem; 2003 Apr 15; 24(5):531-46. PubMed ID: 12632469
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  • 26. A semi-implicit solvent model for the simulation of peptides and proteins.
    Basdevant N, Borgis D, Ha-Duong T.
    J Comput Chem; 2004 Jun 15; 25(8):1015-29. PubMed ID: 15067677
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  • 27. Solvation model based on order parameters and a fast sampling method for the calculation of the solvation free energies of peptides.
    Gu C, Lustig S, Trout BL.
    J Phys Chem B; 2006 Jan 26; 110(3):1476-84. PubMed ID: 16471699
    [Abstract] [Full Text] [Related]

  • 28. The importance of excluded solvent volume effects in computing hydration free energies.
    Yang PK, Lim C.
    J Phys Chem B; 2008 Nov 27; 112(47):14863-8. PubMed ID: 18956834
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  • 29. Are solvation free energies of homogeneous helical peptides additive?
    Staritzbichler R, Gu W, Helms V.
    J Phys Chem B; 2005 Oct 13; 109(40):19000-7. PubMed ID: 16853446
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  • 30. 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]

  • 31. Application of the level-set method to the implicit solvation of nonpolar molecules.
    Cheng LT, Dzubiella J, McCammon JA, Li B.
    J Chem Phys; 2007 Aug 28; 127(8):084503. PubMed ID: 17764265
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  • 32. Free energy of solvation from molecular dynamics simulations for low dielectric solvents.
    Gonçalves PF, Stassen H.
    J Comput Chem; 2003 Nov 15; 24(14):1758-65. PubMed ID: 12964194
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  • 33. Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution.
    Egwolf B, Tavan P.
    J Chem Phys; 2004 Jan 22; 120(4):2056-68. PubMed ID: 15268342
    [Abstract] [Full Text] [Related]

  • 34. Efficient approximate all-atom solvent accessible surface area method parameterized for folded and denatured protein conformations.
    Guvench O, Brooks CL.
    J Comput Chem; 2004 Jun 22; 25(8):1005-14. PubMed ID: 15067676
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  • 35. Coupling nonpolar and polar solvation free energies in implicit solvent models.
    Dzubiella J, Swanson JM, McCammon JA.
    J Chem Phys; 2006 Feb 28; 124(8):084905. PubMed ID: 16512740
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  • 36. Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies.
    Genheden S, Ryde U.
    Proteins; 2012 May 28; 80(5):1326-42. PubMed ID: 22274991
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  • 37. Evaluation of the conformational free energies of loops in proteins.
    Smith KC, Honig B.
    Proteins; 1994 Feb 28; 18(2):119-32. PubMed ID: 8159662
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  • 38. Conformational analysis of endothelin-1: effects of solvation free energy.
    Hempel JC, Fine RM, Hassan M, Ghoul W, Guaragna A, Koerber SC, Li Z, Hagler AT.
    Biopolymers; 1995 Sep 28; 36(3):283-301. PubMed ID: 7669916
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  • 39. Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.
    Pei J, Wang Q, Zhou J, Lai L.
    Proteins; 2004 Dec 01; 57(4):651-64. PubMed ID: 15390269
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  • 40. Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis.
    Gilson MK, Honig B.
    Proteins; 1988 Dec 01; 4(1):7-18. PubMed ID: 3186692
    [Abstract] [Full Text] [Related]

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