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Inorganic Chemistry|November 21, 2023
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM CalculationsHao Jiang, Kristoffer J M Lundgren, Ulf RydeIucrj|September 30, 2024
Quantum refinement in real and reciprocal space using the Phenix and ORCA softwareKristoffer J M Lundgren, Octav Caldararu, Esko Oksanen, et al.Acta Crystallographica. Section D, Structural Biology|October 8, 2025
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinementGayathri Yuvaraj, Kristoffer J M Lundgren, Elija Veenman, et al.Dalton Transactions (Cambridge, England : 2003)|January 22, 2025
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxideKristoffer J M Lundgren, Lili Cao, Magne Torbjörnsson, et al.Journal of Applied Crystallography|April 10, 2026
Quantum refinement with electron diffraction and X-ray free-electron laser data: comparative study of ribonucleotide reductase dimetal siteKristoffer J M Lundgren, Xiaoli Sun, Laura Pacoste, et al.Nature Communications|February 3, 2026
Can ferric-oxyl excited states explain elongated iron-oxygen bonds in heme peroxidase catalytic intermediates?Lewis J Williams, Jos J A G Kamps, Adrian M V Brânzanic, et al.Pageof 1