An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation

• Published in: Journal of Molecular Catalysis B: Enzymatic
• Main Authors: de Oliveira, Eduardo, Humeau, Catherine, Maia, Elaine, Chebil, Latifa, Ronat, Evelyne, Monard, Gerald, Ruiz-Lopez, Manuel, Ghoul, Mohamed, Engasser, Jean-Marc
• Other Authors: 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
• Language: English
• Published: HAL CCSD 2010
• Subjects: [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]; [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation; Antarc*; Antarctica
• Online Access: https://hal.science/hal-03537732; https://doi.org/10.1016/j.molcatb.2010.06.009

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