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152 related items for PubMed ID: 21766867

  • 1. Structure and dynamics of a dizinc metalloprotein: effect of charge transfer and polarization.
    Li YL, Mei Y, Zhang DW, Xie DQ, Zhang JZ.
    J Phys Chem B; 2011 Aug 25; 115(33):10154-62. PubMed ID: 21766867
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  • 2. Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions.
    Sakharov DV, Lim C.
    J Comput Chem; 2009 Jan 30; 30(2):191-202. PubMed ID: 18566982
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  • 3. Some practical approaches to treating electrostatic polarization of proteins.
    Ji C, Mei Y.
    Acc Chem Res; 2014 Sep 16; 47(9):2795-803. PubMed ID: 24883956
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  • 4. Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
    Calhoun JR, Liu W, Spiegel K, Dal Peraro M, Klein ML, Valentine KG, Wand AJ, DeGrado WF.
    Structure; 2008 Feb 16; 16(2):210-5. PubMed ID: 18275812
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  • 5. A Fragment Quantum Mechanical Method for Metalloproteins.
    Xu M, He X, Zhu T, Zhang JZH.
    J Chem Theory Comput; 2019 Feb 12; 15(2):1430-1439. PubMed ID: 30620584
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  • 11. Computational protocol for predicting the binding affinities of zinc containing metalloprotein-ligand complexes.
    Jain T, Jayaram B.
    Proteins; 2007 Jun 01; 67(4):1167-78. PubMed ID: 17380508
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  • 12. Communication: Quantum polarized fluctuating charge model: a practical method to include ligand polarizability in biomolecular simulations.
    Kimura SR, Rajamani R, Langley DR.
    J Chem Phys; 2011 Dec 21; 135(23):231101. PubMed ID: 22191857
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  • 14. Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins.
    Landry L, Li P.
    J Chem Inf Model; 2024 Feb 12; 64(3):812-824. PubMed ID: 38198652
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  • 20. Quantum effects in cation interactions with first and second coordination shell ligands in metalloproteins.
    Ngo V, da Silva MC, Kubillus M, Li H, Roux B, Elstner M, Cui Q, Salahub DR, Noskov SY.
    J Chem Theory Comput; 2015 Oct 13; 11(10):4992-5001. PubMed ID: 26574284
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