Simone Raugei
Affiliations: | Pacific Northwest National Laboratory, Richland, WA, United States | ||
| Washington State University, Pullman, WA, United States |
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Parents
Sign in to add mentor| Michele Parrinello | grad student | University of Florence, Italy | |
| Michael L. Klein | post-doc | Penn |
Children
Sign in to add trainee| Vincenzo Carnevale | grad student | 2003-2007 | SISSA, Trieste |
| Busra Dereli | post-doc | 2022- | PNNL |
| Suman Samantray | post-doc | 2022- | PNNL |
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Publications
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| Johnson SI, Baer MD, Raugei S. (2021) Protonation of Serine in Gas and Condensed and Microsolvated States in Aqueous Solution. The Journal of Physical Chemistry. A. 126: 44-52 |
| Guy JE, Cai Y, Baer MD, et al. (2021) Regioselectivity mechanism of the Thunbergia alata Δ6-16:0-acyl carrier protein desaturase. Plant Physiology |
| Patwardhan A, Sarangi R, Ginovska B, et al. (2021) Nickel-Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer. Journal of the American Chemical Society |
| Huang Q, Tokmina-Lukaszewska M, Johnson LE, et al. (2021) Mechanical coupling in the nitrogenase complex. Plos Computational Biology. 17: e1008719 |
| Baer MD, Shanklin J, Raugei S. (2021) Atomistic insight on structure and dynamics of spinach acyl carrier protein with substrate length. Biophysical Journal |
| Fantuzzi F, Nascimento MAC, Ginovska B, et al. (2020) Splitting of multiple hydrogen molecules by bioinspired diniobium metal complexes: a DFT study. Dalton Transactions (Cambridge, England : 2003). 50: 840-849 |
| Artz JH, Zadvornyy OA, Mulder DW, et al. (2019) Tuning catalytic bias of hydrogen gas producing hydrogenases. Journal of the American Chemical Society |
| Johnson LE, Ginovska B, Fenton AW, et al. (2019) Chokepoints in Mechanical Coupling Associated with Allosteric Proteins: The Pyruvate Kinase Example. Biophysical Journal |
| Keable SM, Zadvornyy OA, Johnson LE, et al. (2018) Structural characterization of the P intermediate state of the P-cluster of nitrogenase. The Journal of Biological Chemistry |
| Reback ML, Ginovska B, Buchko GW, et al. (2016) Investigating the role of chain and linker length on the catalytic activity of an H production catalyst containing a β-hairpin peptide. Journal of Coordination Chemistry. 69: 1730-1747 |