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2021
Mark Two-Substrate Glyoxalase i Mechanism : A Quantum Mechanics/Molecular Mechanics Study
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2021) In Inorganic Chemistry p.303-314
- Contribution to journal › Article
Mark Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex
Kaufhold, Simon ^LU ; Rosemann, Nils W. ^LU ; Chábera, Pavel ^LU ; Lindh, Linnea ^LU ; Bolanõ Losada, Iria ^LU ; Uhlig, Jens ^LU ; Pascher, Torbjörn ^LU ; Strand, Daniel ^LU ; Wärnmark, Kenneth ^LU and Yartsev, Arkady ^LU , et al. (2021) In Journal of the American Chemical Society p.1307-1312
- Contribution to journal › Article
Mark Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
Bergmann, Justin ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2021) In Journal of Inorganic Biochemistry 219.
- Contribution to journal › Article
Mark Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenase
Theibich, Yusuf A. ; Sauer, Stephan P.A. ; Leggio, Leila Lo and Hedegård, Erik D. ^LU (2021) In Computational and Structural Biotechnology Journal 19. p.555-567
- Contribution to journal › Article
Mark Charge Interactions in a Highly Charge-Depleted Protein
Hervø-Hansen, Stefan ^LU ; Højgaard, Casper ; Johansson, Kristoffer Enøe ; Wang, Yong ; Wahni, Khadija ; Young, David ; Messens, Joris ; Teilum, Kaare ^LU ; Lindorff-Larsen, Kresten and Winther, Jakob Rahr (2021) In Journal of the American Chemical Society 143(6). p.2500-2508
- Contribution to journal › Article
Mark The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions
Fagerberg, Eric ^LU ; Mansson, Linda K. ^LU ; Lenton, Samuel ^LU and Skepo, Marie ^LU (2021) In Journal of Physical Chemistry B 124(52). p.11843-11853
- Contribution to journal › Article
Mark Impact of arginine−phosphate interactions on the reentrant condensation of disordered proteins
Lenton, Samuel ^LU ; Hervø-Hansen, Stefan ^LU ; Popov, Anton M. ; Tully, Mark D. ; Lund, Mikael ^LU and Skepö, Marie ^LU (2021) In Biomacromolecules 22(4). p.1532-1544
- Contribution to journal › Article
Mark Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
Jephthah, Stephanie ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Mark Critical evaluation of a crystal structure of nitrogenase with bound N₂ ligands
Bergmann, Justin ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2021) In Journal of Biological Inorganic Chemistry 26(2-3). p.341-353
- Contribution to journal › Article
Mark QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2021) In Journal of Chemical Theory and Computation 17(3). p.1822-1841
- Contribution to journal › Article

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