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Journal Abstract Search

1827 related items for PubMed ID: 24883956

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  • 7. Conformational simulations of aqueous solvated alpha-conotoxin GI and its single disulfide analogues using a polarizable force field model.
    Jiang N, Ma J.
    J Phys Chem A; 2008 Oct 09; 112(40):9854-67. PubMed ID: 18788721
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  • 8. A quantum mechanical computational method for modeling electrostatic and solvation effects of protein.
    Wang X, Li Y, Gao Y, Yang Z, Lu C, Zhu T.
    Sci Rep; 2018 Apr 03; 8(1):5475. PubMed ID: 29615707
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  • 11. Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules.
    Fox SJ, Pittock C, Fox T, Tautermann CS, Malcolm N, Skylaris CK.
    J Chem Phys; 2011 Dec 14; 135(22):224107. PubMed ID: 22168680
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  • 12. 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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  • 15. Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
    Liu J, Zhu T, Wang X, He X, Zhang JZ.
    J Chem Theory Comput; 2015 Dec 08; 11(12):5897-905. PubMed ID: 26642993
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  • 19. A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
    Duan Y, Wu C, Chowdhury S, Lee MC, Xiong G, Zhang W, Yang R, Cieplak P, Luo R, Lee T, Caldwell J, Wang J, Kollman P.
    J Comput Chem; 2003 Dec 08; 24(16):1999-2012. PubMed ID: 14531054
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