Computational Chemistry
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- 2025
-
Mark
The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
Wieduwilt, Erna K. ; Hagemann, Marlisa M. LU ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2025)
In Inorganic Chemistry Frontiers
12(18).
p.5344-5359
- Contribution to journal › Article
-
Mark
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2025)
In Dalton Transactions
54(14).
p.5779-5795
- Contribution to journal › Article
-
Mark
Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
- Contribution to journal › Article
-
Mark
Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots
Gutierrez-Rus, Luis I. ; Vos, Eva ; Pantoja-Uceda, David ; Hoffka, Gyula LU ; Gutierrez-Cardenas, Jose ; Ortega-Muñoz, Mariano ; Risso, Valeria A. ; Jimenez, Maria Angeles ; Kamerlin, Shina C.L. LU
and Sanchez-Ruiz, Jose M.
(2025)
In Journal of the American Chemical Society
147(18).
p.14978-14996
- Contribution to journal › Article
-
Mark
Assessing the interaction between the N-terminal region of the membrane protein magnesium transporter A and a lipid bilayer
Skog, Amanda Eriksson LU ; Jones, Nykola C. ; Månsson, Linda K. LU ; Morth, Jens Preben ; Vrønning Hoffmann, Søren ; Gerelli, Yuri and Skepö, Marie LU
(2025)
In Journal of Colloid and Interface Science
683.
p.663-674
- Contribution to journal › Article
-
Mark
Lysozyme revisited
- Contribution to journal › Debate/Note/Editorial
-
Mark
Strong electrostatic attraction drives milk heteroprotein complex coacervation
Vinterbladh, Isabel LU
; Soussi, Rima Hachfi
; Forsman, Jan
LU
; Bouhallab, Said
and Lund, Mikael
LU
(2025)
In International Journal of Biological Macromolecules
286.
- Contribution to journal › Article
-
Mark
Rheology and dynamics of dense particle suspensions in rotary shear flows
Agrawal, Naveen Kumar ; Ge, Zhouyang ; Trulsson, Martin LU
; Tammisola, Outi
and Brandt, Luca
(2025)
In Journal of Fluid Mechanics
1018.
- Contribution to journal › Article
-
Mark
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Losada, Iria Bolaño LU ; Ryde, Ulf LU
and Persson, Petter
LU
(2025)
In Journal of the American Chemical Society
147(35).
p.31509-31520
- Contribution to journal › Article
-
Mark
Supercooled phase transitions in conformal dark sectors explain NANOGrav data
- Contribution to journal › Article