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Journal Abstract Search

1685 related items for PubMed ID: 17291029

  • 1. 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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  • 2. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA, Jagielska A, Scheraga HA.
    J Phys Chem B; 2006 Mar 16; 110(10):5025-44. PubMed ID: 16526746
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  • 7. Accuracy of free energies of hydration using CM1 and CM3 atomic charges.
    Udier-Blagović M, Morales De Tirado P, Pearlman SA, Jorgensen WL.
    J Comput Chem; 2004 Aug 16; 25(11):1322-32. PubMed ID: 15185325
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  • 9. 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
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  • 10. Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model.
    Zhao DX, Yu L, Gong LD, Liu C, Yang ZZ.
    J Chem Phys; 2011 May 21; 134(19):194115. PubMed ID: 21599052
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  • 12. Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
    Jakalian A, Jack DB, Bayly CI.
    J Comput Chem; 2002 Dec 21; 23(16):1623-41. PubMed ID: 12395429
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  • 14. Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations.
    Mo Y, Gao J.
    J Phys Chem B; 2006 Feb 23; 110(7):2976-80. PubMed ID: 16494296
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  • 15. Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E, Di Tommaso D, de Leeuw NH.
    Phys Chem Chem Phys; 2010 Nov 07; 12(41):13804-15. PubMed ID: 20862433
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  • 16. CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
    Patel S, Mackerell AD, Brooks CL.
    J Comput Chem; 2004 Sep 07; 25(12):1504-14. PubMed ID: 15224394
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