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The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide.
Dalton Trans. 2025 Jan 22. doi: 10.1039/d4dt03301a. Online ahead of print.
Dalton Trans. 2025.
PMID: 39841050
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations.
Jiang H, Lundgren KJM, Ryde U.
Jiang H, et al. Among authors: lundgren kjm.
Inorg Chem. 2023 Dec 4;62(48):19433-19445. doi: 10.1021/acs.inorgchem.3c02329. Epub 2023 Nov 21.
Inorg Chem. 2023.
PMID: 37987624
Free PMC article.
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Quantum refinement in real and reciprocal space using the Phenix and ORCA software.
Lundgren KJM, Caldararu O, Oksanen E, Ryde U.
Lundgren KJM, et al.
IUCrJ. 2024 Nov 1;11(Pt 6):921-937. doi: 10.1107/S2052252524008406.
IUCrJ. 2024.
PMID: 39345101
Free PMC article.
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The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations.
Rulísek L, Jensen KP, Lundgren K, Ryde U.
Rulísek L, et al.
J Comput Chem. 2006 Sep;27(12):1398-414. doi: 10.1002/jcc.20450.
J Comput Chem. 2006.
PMID: 16802319
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