Irene Shim

Irene Shim is a Researcher at the Department of Chemistry, Technical University of Denmark (DTU), specializing in ab initio quantum chemical calculations and electronic structure analysis. Her work bridges theoretical chemistry with biochemical applications, particularly in redox metalloenzymes and nucleic acid therapeutics.

• Research Focus: Electronic states, chemical bonding, and molecular stability in metalloproteins and modified oligonucleotides.
• Projects: Managing long-term initiatives on molecular radicals and transition metal-containing systems since 1996.

Her recent publications highlight collaborations with leading researchers like Hans Bohr and Jens Ulstrup, exploring protein conductivity mechanisms and drug delivery simulations. A 2021 Scientific Reports study demonstrated predictive models for antisense drug uptake, while her 2024 work in ChemistryOpen investigates substrate-triggered enzyme dynamics.

Shim contributes to PhD supervision as an examiner, including projects on QSAR techniques for polysaccharide properties (1999-2002). Her research is supported by grants from Danish Research Councils and collaborations with institutions like Texas A&M University.