An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation
International audience
| Published in: | Journal of Molecular Catalysis B: Enzymatic |
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| Main Authors: | , , , , , , , , |
| Other Authors: | , , , , |
| Format: | Article in Journal/Newspaper |
| Language: | English |
| Published: |
HAL CCSD
2010
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| Subjects: | |
| Online Access: | https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 |
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ftunilorrainehal:oai:HAL:hal-03537732v1 2024-06-23T07:47:26+00:00 An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc Laboratoire d'Ingénierie des Biomolécules (LIBio) Université de Lorraine (UL) Universidade de Brasilia Brasília (UnB) Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC) Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) 2010-10 https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 en eng HAL CCSD Elsevier [1995, vol. 1, iss. 1-2016, vol. 134] info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcatb.2010.06.009 hal-03537732 https://hal.science/hal-03537732 doi:10.1016/j.molcatb.2010.06.009 ISSN: 1381-1177 EISSN: 1873-3158 Journal of Molecular Catalysis B: Enzymatic https://hal.science/hal-03537732 Journal of Molecular Catalysis B: Enzymatic, 2010, 66 (3-4), pp.325-331. ⟨10.1016/j.molcatb.2010.06.009⟩ [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation info:eu-repo/semantics/article Journal articles 2010 ftunilorrainehal https://doi.org/10.1016/j.molcatb.2010.06.009 2024-06-04T00:02:40Z International audience Article in Journal/Newspaper Antarc* Antarctica Université de Lorraine: HAL Journal of Molecular Catalysis B: Enzymatic 66 3-4 325 331 |
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Open Polar |
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Université de Lorraine: HAL |
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ftunilorrainehal |
| language |
English |
| topic |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation |
| spellingShingle |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| topic_facet |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation |
| description |
International audience |
| author2 |
Laboratoire d'Ingénierie des Biomolécules (LIBio) Université de Lorraine (UL) Universidade de Brasilia Brasília (UnB) Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC) Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) |
| format |
Article in Journal/Newspaper |
| author |
de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc |
| author_facet |
de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc |
| author_sort |
de Oliveira, Eduardo |
| title |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_short |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_full |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_fullStr |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_full_unstemmed |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_sort |
approach based on density functional theory (dft) calculations to assess the candida antarctica lipase b selectivity in rutin, isoquercitrin and quercetin acetylation |
| publisher |
HAL CCSD |
| publishDate |
2010 |
| url |
https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 |
| genre |
Antarc* Antarctica |
| genre_facet |
Antarc* Antarctica |
| op_source |
ISSN: 1381-1177 EISSN: 1873-3158 Journal of Molecular Catalysis B: Enzymatic https://hal.science/hal-03537732 Journal of Molecular Catalysis B: Enzymatic, 2010, 66 (3-4), pp.325-331. ⟨10.1016/j.molcatb.2010.06.009⟩ |
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info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcatb.2010.06.009 hal-03537732 https://hal.science/hal-03537732 doi:10.1016/j.molcatb.2010.06.009 |
| op_doi |
https://doi.org/10.1016/j.molcatb.2010.06.009 |
| container_title |
Journal of Molecular Catalysis B: Enzymatic |
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66 |
| container_issue |
3-4 |
| container_start_page |
325 |
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331 |
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1802651528643739648 |