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Journal Abstract Search


105 related items for PubMed ID: 20095551

  • 1. VB/MM protein landscapes: a study of the S(N)2 reaction in haloalkane dehalogenase.
    Sharir-Ivry A, Shnerb T, Strajbl M, Shurki A.
    J Phys Chem B; 2010 Feb 18; 114(6):2212-8. PubMed ID: 20095551
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  • 2. Density embedded VB/MM: a hybrid ab initio VB/MM with electrostatic embedding.
    Sharir-Ivry A, Crown HA, Wu W, Shurki A.
    J Phys Chem A; 2008 Mar 20; 112(11):2489-96. PubMed ID: 18293950
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  • 9. An accurate barrier for the hydrogen exchange reaction from valence bond theory: is this theory coming of age?
    Song L, Wu W, Hiberty PC, Danovich D, Shaik S.
    Chemistry; 2003 Sep 22; 9(18):4540-7. PubMed ID: 14502640
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  • 10. Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods.
    Otyepka M, Banás P, Magistrato A, Carloni P, Damborský J.
    Proteins; 2008 Feb 15; 70(3):707-17. PubMed ID: 17729274
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  • 16. Solute solvent dynamics and energetics in enzyme catalysis: the S(N)2 reaction of dehalogenase as a general benchmark.
    Olsson MH, Warshel A.
    J Am Chem Soc; 2004 Nov 24; 126(46):15167-79. PubMed ID: 15548014
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