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Journal Abstract Search

216 related items for PubMed ID: 17253648

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  • 23. Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations.
    Gresh N, Piquemal JP, Krauss M.
    J Comput Chem; 2005 Aug; 26(11):1113-30. PubMed ID: 15934064
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  • 26. The crystal structure of rabbit phosphoglucose isomerase complexed with 5-phospho-D-arabinonohydroxamic acid.
    Arsenieva D, Hardre R, Salmon L, Jeffery CJ.
    Proc Natl Acad Sci U S A; 2002 Apr 30; 99(9):5872-7. PubMed ID: 11983887
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  • 27. Identification of Cys-150 in the active site of phosphomannose isomerase from Candida albicans.
    Coulin F, Magnenat E, Proudfoot AE, Payton MA, Scully P, Wells TN.
    Biochemistry; 1993 Dec 28; 32(51):14139-44. PubMed ID: 8260497
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  • 31. Functional analysis of the Burkholderia cenocepacia J2315 BceAJ protein with phosphomannose isomerase and GDP-D-mannose pyrophosphorylase activities.
    Sousa SA, Moreira LM, Leitão JH.
    Appl Microbiol Biotechnol; 2008 Oct 28; 80(6):1015-22. PubMed ID: 18668237
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  • 33. Binding preferences of hydroxamate inhibitors of the matrix metalloproteinase human fibroblast collagenase.
    Toba S, Damodaran KV, Merz KM.
    J Med Chem; 1999 Apr 08; 42(7):1225-34. PubMed ID: 10197966
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  • 34. Identification of amino acid residues important for the phosphomannose isomerase activity of PslB in Pseudomonas aeruginosa PAO1.
    Lee HJ, Chang HY, Venkatesan N, Peng HL.
    FEBS Lett; 2008 Oct 15; 582(23-24):3479-83. PubMed ID: 18801364
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  • 38. Modeling of inhibitor-metalloenzyme interactions and selectivity using molecular mechanics grounded in quantum chemistry.
    Garmer DR, Gresh N, Roques BP.
    Proteins; 1998 Apr 01; 31(1):42-60. PubMed ID: 9552158
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  • 39. Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1,2,4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC.
    Kwapien K, Gavara L, Docquier JD, Berthomieu D, Hernandez JF, Gresh N.
    J Comput Chem; 2021 Jan 15; 42(2):86-106. PubMed ID: 33169865
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