Justin Bergmann

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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
Bergmann, Justin ^LU (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 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 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 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
2019
Mark Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
Cao, Lili ^LU ; Börner, Melanie C. ; Bergmann, Justin ^LU ; Caldararu, Octav ^LU and Ryde, Ulf ^LU (2019) In Inorganic Chemistry 58(15). p.9672-9690
- Contribution to journal › Article