Theoretical QM/MM studies of enzymatic pericyclic reactions-Reference-Cited by-同舟云学术

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Theoretical QM/MM studies of enzymatic pericyclic reactions

Published:2010-01-28 Issue:1 Volume:2 Page:115-131
ISSN:1913-2751
Container-title:Interdisciplinary Sciences: Computational Life Sciences
language:en
Short-container-title:Interdiscip Sci Comput Life Sci

Author:

Martí S.,Andrés J.,Moliner V.,Silla E.,Tuñón I.,Bertrán J.

Publisher

Springer Science and Business Media LLC

Subject

Health Informatics,Computer Science Applications,General Biochemistry, Genetics and Molecular Biology

Link

http://link.springer.com/content/pdf/10.1007/s12539-010-0095-9.pdf

Reference96 articles.

1. Addadi, L., Jaffe, E.K., Knowles, J.R. 1983. Secondary tritium isotope effects as probes of the enzymic and nonenzymic conversion of chorismate to prephenate. Biochemistry 22, 4494–4501.

2. Aemissegger, A., Jaun, B., Hilvert, D. 2002. Investigation of the enzymatic and nonenzymatic cope rearrangement of carbaprephenate to carbachorismate. Journal of Organic Chemistry 67, 6725–6730.

3. Aharoni, A., Gaidukov, L., Khersonsky, O., Gould, S.M., Roodveldt, C., Tawfik, D.S. 2005. The ‘evolvability’ of promiscuous protein functions. Nature Genetics 37, 73–76.

4. Andrews, P.R., Heyde, E. 1979. A common active site model for catalysis by chorismate mutase-prephenate dehydrogenase. Journal of Theoretical Biology 78, 393–403.

5. Andrews, P.R., Smith, G.D., Young, I.G. 1973. Kinetic and molecular orbital studies of the rearrangement of chorismate to prephenate. Biochemistry 12, 3492–3498.

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1. Exploring the Substrate-Assisted Dehydration of Chorismate Catalyzed by Dehydratase MqnA from QM/MM Calculations: The Role of Pocket Residues and the Hydrolysis Mechanism of N17D Mutant;Journal of Chemical Information and Modeling;2023-11-16

2. Chorismate- and isochorismate converting enzymes: versatile catalysts acting on an important metabolic node;Chemical Communications;2021

3. High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning;Machine Learning: Science and Technology;2020-02-25

4. Discovering Biomolecules with Huisgenase Activity: Designed Repeat Proteins as Biocatalysts for (3 + 2) Cycloadditions;Journal of the American Chemical Society;2019-12-12

5. Chorismatases – the family is growing;Organic & Biomolecular Chemistry;2019

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