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Development of computational methods for the simulation of enzymes under operational conditions

Ferrario, Valerio
2010-03-26
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Abstract
The thesis work is about the development of new techniques in order to simulate enzymes in real operational conditions. The work is focused on the most wiedely used enzyme class: lipases. The developed techniques were also applied on a completly different enzyme in order to confirm the validity of the methodologies.
Archivio
http://hdl.handle.net/10077/3611
Diritti
open access
Soggetti
  • molecular modelling

  • lipasi

  • biocatalisi

  • chemometria

  • GROMACS

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