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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
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Wang, Meiting LU ; Jiang, Hao LU
and Ryde, Ulf
LU
(2025)
In Journal of Chemical Information and Modeling
65(4).
p.2107-2115
- Contribution to journal › Article
-
Mark
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
Lundgren, Kristoffer J.M. LU ; Cao, Lili LU ; Torbjörnsson, Magne LU ; Hedegård, Erik D. LU and Ryde, Ulf LU
(2025)
In Dalton Transactions
54(8).
p.3141-3156
- 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
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi LU and Ryde, Ulf LU
(2025)
In Inorganic Chemistry
64(8).
p.3917-3929
- 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
Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
- Contribution to journal › Article
- 2024
-
Mark
H2 formation from the E2–E4 states of nitrogenase
- Contribution to journal › Article
-
Mark
QM/MM study of the catalytic reaction of aphid myrosinase
Jafari, Sonia ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2024)
In International Journal of Biological Macromolecules
262.
- Contribution to journal › Article
-
Mark
Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase : H2O2- versus O2-Activation
Hagemann, Marlisa M. LU ; Wieduwilt, Erna K. ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2024)
In Inorganic Chemistry
63(46).
p.21929-21940
- Contribution to journal › Article