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Journal Abstract Search

699 related items for PubMed ID: 15264253

  • 1. Empirical force fields for biological macromolecules: overview and issues.
    Mackerell AD.
    J Comput Chem; 2004 Oct; 25(13):1584-604. PubMed ID: 15264253
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  • 2. Comparison of protein force fields for molecular dynamics simulations.
    Guvench O, MacKerell AD.
    Methods Mol Biol; 2008 Oct; 443():63-88. PubMed ID: 18446282
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  • 3. Development and current status of the CHARMM force field for nucleic acids.
    MacKerell AD, Banavali N, Foloppe N.
    Biopolymers; 2008 Oct; 56(4):257-65. PubMed ID: 11754339
    [Abstract] [Full Text] [Related]

  • 4. 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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  • 5. Molecular dynamics simulation of nucleic acids: successes, limitations, and promise.
    Cheatham TE, Young MA.
    Biopolymers; 2004 Aug; 56(4):232-56. PubMed ID: 11754338
    [Abstract] [Full Text] [Related]

  • 6. 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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  • 7. CHARMM additive and polarizable force fields for biophysics and computer-aided drug design.
    Vanommeslaeghe K, MacKerell AD.
    Biochim Biophys Acta; 2015 May 28; 1850(5):861-871. PubMed ID: 25149274
    [Abstract] [Full Text] [Related]

  • 8. Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins.
    Okur A, Strockbine B, Hornak V, Simmerling C.
    J Comput Chem; 2003 Jan 15; 24(1):21-31. PubMed ID: 12483672
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  • 10. Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations.
    Sagui C, Pedersen LG, Darden TA.
    J Chem Phys; 2004 Jan 01; 120(1):73-87. PubMed ID: 15267263
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  • 14. A new GROMOS force field for hexopyranose-based carbohydrates.
    Lins RD, Hünenberger PH.
    J Comput Chem; 2005 Oct 01; 26(13):1400-12. PubMed ID: 16035088
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  • 15. Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules.
    McNamara JP, Hillier IH.
    Phys Chem Chem Phys; 2007 May 21; 9(19):2362-70. PubMed ID: 17492099
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  • 16. Empirical force-field assessment: The interplay between backbone torsions and noncovalent term scaling.
    Sorin EJ, Pande VS.
    J Comput Chem; 2005 May 21; 26(7):682-90. PubMed ID: 15754305
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