Justin Bergmann (Former)
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- 2026
-
Mark
Linear-scaling aspherical crystallographic refinement of proteins : A case study for crambin and rubredoxin
Bergmann, Justin LU ; Kleemiss, Florian ; Creutzberg, Joel LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2026)
In IUCrJ
13.
p.53-62
- Contribution to journal › Article
-
Mark
Critical evaluation of two neutron structures of Mn superoxide dismutase with quantum refinement
Lundgren, Kristoffer J.M. LU ; Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2026)
In Journal of Biological Inorganic Chemistry
- Contribution to journal › Article
- 2022
-
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
-
Mark
Computational protein crystallography : How to get the most out of your data
(2022)
- Thesis › Doctoral thesis (compilation)
-
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
Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning
Cirri, Damiano ; Bazzicalupi, Carla ; Ryde, Ulf LU
; Bergmann, Justin
LU
; Binacchi, Francesca
; Nocentini, Alessio
; Pratesi, Alessandro
; Gratteri, Paola
and Messori, Luigi
(2022)
In International Journal of Biological Macromolecules
211.
p.506-513
- Contribution to journal › Article
- 2021
-
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
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
- 2020
-
Mark
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
Justin, Bergmann LU ; Davidson, Max ; Oksanen, Esko LU ; Ryde, Ulf LU
and Jayatilaka, Dylan
(2020)
In IUCrJ
7(2).
p.158-165
- Contribution to journal › Article