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150 related items for PubMed ID: 28264557

  • 1. Full QM Calculation of RNA Energy Using Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method.
    Jin X, Zhang JZ, He X.
    J Phys Chem A; 2017 Mar 30; 121(12):2503-2514. PubMed ID: 28264557
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  • 2. Electrostatically embedded generalized molecular fractionation with conjugate caps method for full quantum mechanical calculation of protein energy.
    Wang X, Liu J, Zhang JZ, He X.
    J Phys Chem A; 2013 Aug 15; 117(32):7149-61. PubMed ID: 23452268
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  • 7. Fragment-based quantum mechanical calculation of protein-protein binding affinities.
    Wang Y, Liu J, Li J, He X.
    J Comput Chem; 2018 Aug 05; 39(21):1617-1628. PubMed ID: 29707784
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  • 10. Accurate Prediction of Absorption Spectral Shifts of Proteorhodopsin Using a Fragment-Based Quantum Mechanical Method.
    Shen C, Jin X, Glover WJ, He X.
    Molecules; 2021 Jul 25; 26(15):. PubMed ID: 34361639
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  • 11. 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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  • 16. Fragment Quantum Mechanical Method for Large-Sized Ion-Water Clusters.
    Liu J, Qi LW, Zhang JZH, He X.
    J Chem Theory Comput; 2017 May 09; 13(5):2021-2034. PubMed ID: 28379695
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  • 18. Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Møller-Plesset Perturbation Theory Energies for Large Water Clusters.
    Dahlke EE, Truhlar DG.
    J Chem Theory Comput; 2007 Jul 09; 3(4):1342-8. PubMed ID: 26633207
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