J. Bergmann

Computationally enhanced X-ray diffraction analysis of a gold(III) complex interacting with the human telomeric DNA G-quadruplex. Unravelling non-unique ligand positioning.

U. Ryde, L. Messori, A. Nocentini, 2022, International journal of biological macromolecules.

Fast and Accurate Quantum Crystallography: from Small to Large, from Light to Heavy.

A. Genoni, Benjamin Meyer, R. Piltz, 2019, The journal of physical chemistry letters.

Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase.

U. Ryde, E. Oksanen, J. Bergmann, 2021, Journal of inorganic biochemistry.

fragHAR: towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins

U. Ryde, E. Oksanen, D. Jayatilaka, 2020, IUCrJ.

Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins

U. Ryde, S. Jafari, M. Irani, 2022, Inorganic chemistry.

Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement.

U. Ryde, J. Bergmann, Lili Cao, 2019, Inorganic chemistry.

Critical evaluation of a crystal structure of nitrogenase with bound N2 ligands

U. Ryde, E. Oksanen, J. Bergmann, 2021, JBIC Journal of Biological Inorganic Chemistry.

New Polymorphs of the Phase-Change Material Sodium Acetate

B. Dittrich, G. Reiss, J. Bergmann, 2018 .