Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation

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Title
Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 4, Pages 2079-2090
Publisher
American Chemical Society (ACS)
Online
2016-02-27
DOI
10.1021/acs.jctc.5b01236

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