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 |
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HAL CCSD
2010
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Online Access: | https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 |
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ftccsdartic:oai:HAL:hal-03537732v1 2023-12-10T09:42:45+01:00 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 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 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 ftccsdartic https://doi.org/10.1016/j.molcatb.2010.06.009 2023-11-12T00:20:41Z International audience Article in Journal/Newspaper Antarc* Antarctica Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) Journal of Molecular Catalysis B: Enzymatic 66 3-4 325 331 |
institution |
Open Polar |
collection |
Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
op_collection_id |
ftccsdartic |
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 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⟩ |
op_relation |
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 |
container_volume |
66 |
container_issue |
3-4 |
container_start_page |
325 |
op_container_end_page |
331 |
_version_ |
1784885728668286976 |