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- 2024
-
Mark
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)4H]− Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. LU ; Filippi, Claudia and Ryde, Ulf LU
(2024)
In Journal of Physical Chemistry A
128(7).
p.1358-1374
- 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
CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf LU
and Greco, Claudio
(2024)
In ChemPhysChem
25(13).
- 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
-
Mark
Rubus wahlbergii and related species in Sweden
Zhou, Mingyue ; Montes, Melanie S. ; Mattsson, Tore ; Burén, Tomas ; Hedrén, Mikael LU and Ryde, Ulf LU
(2024)
In Nordic Journal of Botany
2024(9).
- Contribution to journal › Article
-
Mark
Quantum refinement in real and reciprocal space using the Phenix and ORCA software
Lundgren, Kristoffer J.M. LU ; Caldararu, Octav LU ; Oksanen, Esko and Ryde, Ulf LU
(2024)
In IUCrJ
11(Pt 6).
p.921-937
- Contribution to journal › Article
- 2023
-
Mark
N2 binding to the E0–E4 states of nitrogenase
- Contribution to journal › Article
-
Mark
Quantum Mechanical Calculations of Redox Potentials of the Metal Clusters in Nitrogenase
- Contribution to journal › Article
-
Mark
Histidine oxidation in lytic polysaccharide monooxygenase
Torbjörnsson, Magne LU ; Hagemann, Marlisa M. LU ; Ryde, Ulf LU
and Hedegård, Erik Donovan
LU
(2023)
In Journal of Biological Inorganic Chemistry
28(3).
p.317-328
- Contribution to journal › Article
-
Mark
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
Scrima, Simone ; Tiberti, Matteo ; Ryde, Ulf LU
; Lambrughi, Matteo
and Papaleo, Elena
(2023)
In Biochimica et Biophysica Acta - Proteins and Proteomics
1871(4).
- Contribution to journal › Article