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Insights from the computational studies on the oxidized as-isolated state of [NiFeSe] hydrogenase from D. vulgaris Hildenborough

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Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP03071D, Paper
Swaminathan Angeline Vedha, Gunasekaran Velmurugan, Rajangam Jagadeesan, Ponnambalam Venuvanalingam
A density functional theory study of the active site structure and features of the oxygen tolerant [NiFeSe] Hase in the oxidized as-isolated state of the enzyme D. vulgaris Hildenborough (DvH) is reported here.
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