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Molecular Simulation Volume 37, 2011 - Issue 7: Recent Advances in Molecular Simulation. Guest Editor Jerome Delhomelle
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Original Articles

Density functional theory calculations of redox properties of iron–sulphur protein analogues

Shuqiang Niu Department of Chemistry, Georgetown University, Washington, DC, 20057-1227, USA
&
Toshiko Ichiye Department of Chemistry, Georgetown University, Washington, DC, 20057-1227, USA; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD, 20892-9314, USACorrespondence[email protected]
Pages 572-590 | Received 30 Mar 2011, Accepted 05 Apr 2011, Published online: 08 Jun 2011

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