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Issue 7, 2000
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Modelling the enantioselectivity of subtilisin in water and organic solvents: insights from molecular dynamics and quantum mechanical/molecular mechanical studies

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Abstract

Through molecular dynamics and quantum mechanical/molecular mechanical calculations we found that differential charge distributions due to the enzyme and to the different solvents can determine the reactivity of subtilisin in different media.

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Publication details

The article was received on 06 Dec 1999, accepted on 18 Feb 2000 and first published on 17 Mar 2000


Article type: Communication
DOI: 10.1039/A909680I
Citation: Chem. Commun., 2000,0, 559-560
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    Modelling the enantioselectivity of subtilisin in water and organic solvents: insights from molecular dynamics and quantum mechanical/molecular mechanical studies

    G. Colombo, G. Ottolina, G. Carrea and K. M. Merz Jr, Chem. Commun., 2000, 0, 559
    DOI: 10.1039/A909680I

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