| Autor: |
Ceilinger, I., Tomić, Sanja, Hodošček, M., Janežič, D. |
| Přispěvatelé: |
Tomić Sanja |
| Jazyk: |
angličtina |
| Rok vydání: |
2005 |
| Předmět: |
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| Popis: |
Burkholderia cepacia lipase (BCL) is a versatile biocatalyst utilised in the pharmaceutical and agrochemical industry for the syntheses of stereo-clean products. In order to understand enantioselective transesterification of secondary aclohols catalysed by BCL we have performed the hybrid QM/MM study using the program Charmm. Reaction pathways for the slow and the fast reacting enantiomer were determined. For the each enantiomer two different binding modes were considered. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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