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.
Modelling the enantioselectivity of subtilisin in water and organic solvents: insights from molecular dynamics and quantum mechanical/molecular mechanical studies
COLOMBO, GIORGIO;
2000-01-01
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.File in questo prodotto:
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