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Journal Abstract Search

112 related items for PubMed ID: 15754305

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  • 2. 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; 25(11):1400-15. PubMed ID: 15185334
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  • 3. 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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  • 4. Molecular dynamics simulations of peptide-surface interactions.
    Raut VP, Agashe MA, Stuart SJ, Latour RA.
    Langmuir; 2005 Feb 15; 21(4):1629-39. PubMed ID: 15697318
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  • 6. A polarizable force field for computing the infrared spectra of the polypeptide backbone.
    Schultheis V, Reichold R, Schropp B, Tavan P.
    J Phys Chem B; 2008 Oct 02; 112(39):12217-30. PubMed ID: 18781720
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  • 7. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK, Liwo A, Scheraga HA.
    J Chem Phys; 2007 Oct 21; 127(15):155103. PubMed ID: 17949219
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  • 11. Improved treatment of the protein backbone in empirical force fields.
    MacKerell AD, Feig M, Brooks CL.
    J Am Chem Soc; 2004 Jan 28; 126(3):698-9. PubMed ID: 14733527
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  • 16. Thermal denaturation of polyalanine peptide in water by molecular dynamics simulations and theoretical prediction of infrared spectra: helix-coil transition kinetics.
    Yang S, Cho M.
    J Phys Chem B; 2007 Jan 25; 111(3):605-17. PubMed ID: 17228919
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  • 17. Empirical force fields for biological macromolecules: overview and issues.
    Mackerell AD.
    J Comput Chem; 2004 Oct 25; 25(13):1584-604. PubMed ID: 15264253
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  • 18. Application of torsion angle molecular dynamics for efficient sampling of protein conformations.
    Chen J, Im W, Brooks CL.
    J Comput Chem; 2005 Nov 30; 26(15):1565-78. PubMed ID: 16145655
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  • 19. The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development.
    Jiang F, Han W, Wu YD.
    Phys Chem Chem Phys; 2013 Mar 14; 15(10):3413-28. PubMed ID: 23385383
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  • 20. An extensible and systematic force field, ESFF, for molecular modeling of organic, inorganic, and organometallic systems.
    Shi S, Yan L, Yang Y, Fisher-Shaulsky J, Thacher T.
    J Comput Chem; 2003 Jul 15; 24(9):1059-76. PubMed ID: 12759906
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