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699 related items for PubMed ID: 17046299

  • 1. Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex.
    Rungrotmongkol T, Mulholland AJ, Hannongbua S.
    J Mol Graph Model; 2007 Jul; 26(1):1-13. PubMed ID: 17046299
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  • 4. Characterization of the active site of DNA polymerase beta by molecular dynamics and quantum chemical calculation.
    Rittenhouse RC, Apostoluk WK, Miller JH, Straatsma TP.
    Proteins; 2003 Nov 15; 53(3):667-82. PubMed ID: 14579358
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  • 9. Inhibition and catalytic mechanism of HIV-1 aspartic protease.
    Silva AM, Cachau RE, Sham HL, Erickson JW.
    J Mol Biol; 1996 Jan 19; 255(2):321-46. PubMed ID: 8551523
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  • 10. Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus: a molecular mechanics and molecular dynamics study.
    da Graça Thrige D, Buur JR, Jørgensen FS.
    Biopolymers; 1997 Sep 19; 42(3):319-36. PubMed ID: 9279125
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  • 14. The protonation state of the catalytic aspartates in plasmepsin II.
    Friedman R, Caflisch A.
    FEBS Lett; 2007 Aug 21; 581(21):4120-4. PubMed ID: 17689534
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  • 16. QM/MM studies of structural and energetic properties of the far-red fluorescent protein HcRed.
    Sun Q, Doerr M, Li Z, Smith SC, Thiel W.
    Phys Chem Chem Phys; 2010 Mar 14; 12(10):2450-8. PubMed ID: 20449359
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  • 20. The role of the putative catalytic base in the phosphoryl transfer reaction in a protein kinase: first-principles calculations.
    Valiev M, Kawai R, Adams JA, Weare JH.
    J Am Chem Soc; 2003 Aug 20; 125(33):9926-7. PubMed ID: 12914447
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