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Pubmed for Handhelds

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Journal Abstract Search

243 related items for PubMed ID: 19320453

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  • 5. Interpretation of protein/ligand crystal structure using QM/MM calculations: case of HIV-1 protease/metallacarborane complex.
    Fanfrlík J, Brynda J, Rezác J, Hobza P, Lepsík M.
    J Phys Chem B; 2008 Nov 27; 112(47):15094-102. PubMed ID: 18975888
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  • 6. Common system setup for the entire catalytic cycle of cytochrome P450(cam) in quantum mechanical/molecular mechanical studies.
    Zheng J, Altun A, Thiel W.
    J Comput Chem; 2007 Oct 27; 28(13):2147-58. PubMed ID: 17450550
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  • 9. Dynamic structures of phosphodiesterase-5 active site by combined molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculations.
    Xiong Y, Lu HT, Zhan CG.
    J Comput Chem; 2008 Jun 27; 29(8):1259-67. PubMed ID: 18161687
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  • 11. QM methods in structure based design: utility in probing protein-ligand interactions.
    Gleeson MP, Hannongbua S, Gleeson D.
    J Mol Graph Model; 2010 Dec 27; 29(4):507-17. PubMed ID: 21075029
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  • 12. Rational design of improved aziridine-based inhibitors of cysteine proteases.
    Buback V, Mladenovic M, Engels B, Schirmeister T.
    J Phys Chem B; 2009 Apr 16; 113(15):5282-9. PubMed ID: 19301885
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  • 13. Electronic properties of 3,3'-dimethyl-5,5'-bis(1,2,4-triazine): towards design of supramolecular arrangements of N-heterocyclic Cu(I) complexes.
    Courcot B, Tran DN, Fraisse B, Bonhomme F, Marsura A, Ghermani NE.
    Chemistry; 2007 Apr 16; 13(12):3414-23. PubMed ID: 17285663
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  • 15. The importance of the active site histidine for the activity of epoxide- or aziridine-based inhibitors of cysteine proteases.
    Mladenovic M, Schirmeister T, Thiel S, Thiel W, Engels B.
    ChemMedChem; 2007 Jan 16; 2(1):120-8. PubMed ID: 17066390
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