Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cyclo...
Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition
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United States: National Academy of Sciences
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Language
English
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United States: National Academy of Sciences
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Contents
SpnF is the first monofunctional Diels–Alder/[6+4]-ase that catalyzes a reaction leading to both Diels–Alder and [6+4] adducts through a single transition state. The environment-perturbed transition-state sampling method has been developed to calculate free energies, kinetic isotope effects, and quasi-classical reaction trajectories of enzyme-catal...
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Full title
Influence of water and enzyme SpnF on the dynamics and energetics of the ambimodal [6+4]/[4+2] cycloaddition
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TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_5798381
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_5798381
Other Identifiers
ISSN
0027-8424
E-ISSN
1091-6490
DOI
10.1073/pnas.1719368115
