Contribution of both catalytic constant and Michaelis constant to CALB enantioselectivity; use of FEP calculations for prediction studies

Publication year: 2011 Source: Journal of Molecular Catalysis B: Enzymatic, Available online 16 December 2011 L. Chaput, Y-H. Sanejouand, A. Balloumi, V. Tran, M. Graber Candida antarcticalipase B (CALB) is characterised by its stability and ease of production and is widely used in the pharmaceutical industry. Here we report on the enantioselectivity of the enzyme using both experimental and computational methods. The apparent kinetic parameters were first experimentally determined for enantiopure butan-2-ol and pentan-2-ol substrates

Publication year: 2011 Source: Journal of Molecular Catalysis B: Enzymatic, Available online 16 December 2011 L. Chaput, Y-H. Sanejouand, A. Balloumi, V. Tran, M. Graber Candida antarcticalipase B (CALB) is characterised by its stability and ease of production and is widely used in the pharmaceutical industry. Here we report on the enantioselectivity of the enzyme using both experimental and computational methods. The apparent kinetic parameters were first experimentally determined for enantiopure butan-2-ol and pentan-2-ol substrates

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Contribution of both catalytic constant and Michaelis constant to CALB enantioselectivity; use of FEP calculations for prediction studies