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Lau, E. Y., Kahn, K., Bash, P. A., Bruice, T. C. (2000) The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase. Proceedings of the National Academy of Sciences, 97 (18) 9937-9942 doi:10.1073/pnas.97.18.9937

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Reference TypeJournal (article/letter/editorial)
TitleThe importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase
JournalProceedings of the National Academy of Sciences
AuthorsLau, E. Y.Author
Kahn, K.Author
Bash, P. A.Author
Bruice, T. C.Author
Year2000 (August 29)Volume97
Issue18
PublisherProceedings of the National Academy of Sciences
DOIdoi:10.1073/pnas.97.18.9937Search in ResearchGate
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Mindat Ref. ID1645249Long-form Identifiermindat:1:5:1645249:3
GUID0
Full ReferenceLau, E. Y., Kahn, K., Bash, P. A., Bruice, T. C. (2000) The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase. Proceedings of the National Academy of Sciences, 97 (18) 9937-9942 doi:10.1073/pnas.97.18.9937
Plain TextLau, E. Y., Kahn, K., Bash, P. A., Bruice, T. C. (2000) The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase. Proceedings of the National Academy of Sciences, 97 (18) 9937-9942 doi:10.1073/pnas.97.18.9937
In(2000, August) Proceedings of the National Academy of Sciences Vol. 97 (18) Proceedings of the National Academy of Sciences

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Hur, S., Kahn, K., Bruice, T. C. (2003) Comparison of formation of reactive conformers for the SN2 displacements by CH3COFormula in water and by Asp124-COFormula in a haloalkane dehalogenase. Proceedings of the National Academy of Sciences, 100 (5) 2215-2219 doi:10.1073/pnas.242721799
Zhang, X., Bruice, T. C. (2006) The mechanism of M.HhaI DNA C5 cytosine methyltransferase enzyme: A quantum mechanics/molecular mechanics approach. Proceedings of the National Academy of Sciences, 103 (16) 6148-6153 doi:10.1073/pnas.0601587103
Lau, E. Y., Bruice, T. C. (2001) The active site dynamics of 4-chlorobenzoyl-CoA dehalogenase. Proceedings of the National Academy of Sciences, 98 (17) 9527-9532 doi:10.1073/pnas.161282698
Luo, J., Bruice, T. C. (2004) Anticorrelated motions as a driving force in enzyme catalysis: The dehydrogenase reaction. Proceedings of the National Academy of Sciences, 101 (36) 13152-13156 doi:10.1073/pnas.0405502101
Bruice, T. C., Pandit, U. K. (1960) INTRAMOLECULAR MODELS DEPICTING THE KINETIC IMPORTANCE OF "FIT" IN ENZYMATIC CATALYSIS. Proceedings of the National Academy of Sciences, 46 (4) 402-404 doi:10.1073/pnas.46.4.402
Lightstone, F. C., Zheng, Y.-J., Maulitz, A. H., Bruice, T. C. (1997) Non-enzymatic and enzymatic hydrolysis of alkyl halides: A haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an SN2 displacement reaction. Proceedings of the National Academy of Sciences, 94 (16) 8417-8420 doi:10.1073/pnas.94.16.8417
Torres, R. A., Almarsson, O., Bruice, T. C. (1996) Molecular mechanics calculations of the riboacetal internucleotide linkage in double and triple helices. Proceedings of the National Academy of Sciences, 93 (14) 6875-6880 doi:10.1073/pnas.93.14.6875
Kast, A. P. (2000) Optimal prediction of stiff oscillatory mechanics. Proceedings of the National Academy of Sciences, 97 (12) 6253-6257 doi:10.1073/pnas.97.12.6253
Villa, J., Strajbl, M., Glennon, T. M., Sham, Y. Y., Chu, Z. T., Warshel, A. (2000) How important are entropic contributions to enzyme catalysis?. Proceedings of the National Academy of Sciences, 97 (22) 11899-11904 doi:10.1073/pnas.97.22.11899
(2000) Proceedings of the National Academy of Sciences, 97 (18) 10294 doi:10.1073/pnas.97.18.10294-a
Newby, Z. E. R., Lau, E. Y., Bruice, T. C. (2002) A theoretical examination of the factors controlling the catalytic efficiency of the DNA-(adenine-N6)-methyltransferase from Thermus aquaticus. Proceedings of the National Academy of Sciences, 99 (12) 7922-7927 doi:10.1073/pnas.122231499
 
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