ArticleAngewandte Chemie (International ed. in English)2013
Quantum chemistry as a tool in asymmetric biocatalysis: limonene epoxide hydrolase test case.
Article in Angewandte Chemie (International ed. in English), 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- A Quantum Mechanical Approach to The Mechanism of Asymmetric Synthesis of Chiral Amine by Imine Reductase from Stackebrandtia Nassauensis.ChemPlusChem · 2025Article
- Biocatalytic strategy for the construction of spNature chemistry · 2024Article
- The Quantum Chemical Cluster Approach in Biocatalysis.Accounts of chemical research · 2023Review
- Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.Nature communications · 2022Article
- Modeling Catalysis in Allosteric Enzymes: Capturing Conformational Consequences.Topics in catalysis · 2022Article
- Computational Study of Mechanism and Enantioselectivity of Imine Reductase from Amycolatopsis orientalis.ChemistryOpen · 2022Article
- Machine Learning Enables Selection of Epistatic Enzyme Mutants for Stability Against Unfolding and Detrimental Aggregation.Chembiochem : a European journal of chemical biology · 2021Article
- Computational Design of Enantiocomplementary Epoxide Hydrolases for Asymmetric Synthesis of Aliphatic and Aromatic Diols.Chembiochem : a European journal of chemical biology · 2020Article
- Computational Understanding of the Selectivities in Metalloenzymes.Frontiers in chemistry · 2018Review
- Article
- Computational tools for the evaluation of laboratory-engineered biocatalysts.Chemical communications (Cambridge, England) · 2016Review
- Conformational diversity and enantioconvergence in potato epoxide hydrolase 1.Organic & biomolecular chemistry · 2016Article
- Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.ACS catalysis · 2015Article
- Unravelling novel synergies between organometallic and biological partners: a quantum mechanics/molecular mechanics study of an artificial metalloenzyme.Journal of the Royal Society, Interface · 2014Article
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2 authors.
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Abstract
Cluster model: Large active-site models (see figure) are used to investigate the selectivity of limonene epoxide hydrolase, both the wild type and mutants optimized through directed evolution. Good agreement is found between theory and the experimental data, thus demonstrating that the quantum chemical cluster approach can be a powerful tool in the field of asymmetric biocatalysis.
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