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Journal Abstract Search

184 related items for PubMed ID: 19373896

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  • 2. Correlation between performance of QM/MM docking and simple classification of binding sites.
    Chung JY, Hah JM, Cho AE.
    J Chem Inf Model; 2009 Oct; 49(10):2382-7. PubMed ID: 19799409
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  • 4. Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanics.
    Gräter F, Schwarzl SM, Dejaegere A, Fischer S, Smith JC.
    J Phys Chem B; 2005 May 26; 109(20):10474-83. PubMed ID: 16852269
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  • 6. 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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  • 8. Modeling of metal interaction geometries for protein-ligand docking.
    Seebeck B, Reulecke I, Kämper A, Rarey M.
    Proteins; 2008 May 15; 71(3):1237-54. PubMed ID: 18041759
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  • 11. A test of ligand field molecular mechanics as an efficient alternative to QM/MM for modelling metalloproteins: the structures of oxidised type I copper centres.
    Deeth RJ.
    Chem Commun (Camb); 2006 Jun 28; (24):2551-3. PubMed ID: 16779474
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  • 12. Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites.
    Bhat S, Sulea T, Purisima EO.
    J Comput Chem; 2006 Dec 28; 27(16):1899-907. PubMed ID: 16988958
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  • 13. Denaturation of metalloproteins with EDTA to facilitate enzymatic digestion and mass fingerprinting.
    Janecki DJ, Reilly JP.
    Rapid Commun Mass Spectrom; 2005 Dec 28; 19(10):1268-72. PubMed ID: 15834845
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  • 14. 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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  • 15. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB, Vaidehi N, Zamanakos G, Goddard WA.
    J Med Chem; 2004 Jan 01; 47(1):56-71. PubMed ID: 14695820
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  • 18. Dissecting the general physicochemical properties of noncovalent interactions involving tyrosine side chain as a second-shell ligand in biomolecular metal-binding site mimetics: an experimental study combining fluorescence, 13C NMR spectroscopy and ESI mass spectrometry.
    Yang CM, Li X, Wei W, Li Y, Duan Z, Zheng J, Huang T.
    Chemistry; 2007 Jan 01; 13(11):3120-30. PubMed ID: 17201001
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  • 19. Combined use of XAFS and crystallography for studying protein-ligand interactions in metalloproteins.
    Strange RW, Hasnain SS.
    Methods Mol Biol; 2005 Jan 01; 305():167-96. PubMed ID: 15939998
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