Ulf Ryde
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- 2022
-
Mark
Benchmark Study of Redox Potential Calculations for Iron-Sulfur Clusters in Proteins
Jafari, Sonia ; Tavares Santos, Yakini A. ; Bergmann, Justin LU ; Irani, Mehdi LU and Ryde, Ulf LU
(2022)
In Inorganic Chemistry
61(16).
p.5991-6007
- Contribution to journal › Article
-
Mark
Combining crystallography with quantum mechanics
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2022)
In Current Opinion in Structural Biology
72.
p.18-26
- Contribution to journal › Scientific review
- 2021
-
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
-
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
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 binding of H2 to MoCu CO dehydrogenase : development and applications of improved H2 van der Waals parameters
- Contribution to journal › Article
-
Mark
Two-Substrate Glyoxalase i Mechanism : A Quantum Mechanics/Molecular Mechanics Study
- Contribution to journal › Article
-
Mark
Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps
Kelpšas, Vinardas LU ; Caldararu, Octav LU ; Blakeley, Matthew P. ; Coquelle, Nicolas ; Wierenga, Rikkert K. ; Ryde, Ulf LU
; von Wachenfeldt, Claes
LU
and Oksanen, Esko
LU
(2021)
In IUCrJ
8(Pt 4).
p.633-643
- Contribution to journal › Article
-
Mark
Norske bjørnebær 6. Sørlandsbjørnebær Rubus ”firmus”
Arnstein Lye, Kåre and Ryde, Ulf LU
(2021)
In Blyttia: norsk botanisk forenings tidsskrift
79(1).
p.39-45
- Contribution to journal › Article
-
Mark
Can the results of quantum refinement be improved with a continuum-solvation model?
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2021)
In Acta Crystallographica. Section B: Structural Science
77(6).
p.906-918
- Contribution to journal › Article