Computational Pharmacology
Computational Pharmacology
Our research aims to uncover rare disease mechanisms through an atomistic understanding of protein dynamics, molecular interactions, and how disease-associated variants reshape conformational landscapes and interaction networks.
By integrating molecular simulations with structural, transcriptomic, pathway-level, and patient-derived data, we uncover disease mechanisms and generate and prioritize testable drug-repurposing hypotheses for experimental validation.
Our research is driven by close collaborations with experimental researchers, clinicians, patient organizations, and affected families, allowing us to connect molecular mechanisms with unmet clinical needs.
Current Opportunities
We are currently recruiting two PhD students as part of a WWTF-funded Precision Medicine project focused on GNB1 encephalopathy and personalized therapeutic discovery: https://www.wwtf.at/funding/programmes/ls/LS25-014/.
Interested students with backgrounds in computational biology, biophysics, bioinformatics, chemistry, pharmacy, or related disciplines are encouraged to contact us.
Selected Publications
Opening closed inward rectifier potassium channel doors.
British Journal of Pharmacology 183, 2197–2218. doi/10.1111/bph.70374
Live-cell quantitative monitoring reveals distinct, high-affinity Gβγ regulations of GIRK2 and GIRK1/2 channels.
Nature Communications 16, 11607. doi.org/10.1038/s41467-025-66730-8
Ethosuximide: subunit- and Gβγ-dependent blocker and reporter of allosteric changes in GIRK channels.
British Journal of Pharmacology 182, 1704–1718. doi.org/10.1111/bph.17446
Subunit gating resulting from individual protonation events in Kir2 channels.
Nature Communications 14, 4538. doi.org/10.1038/s41467-023-40058-7
A selectivity filter mutation provides insights into gating regulation of a K⁺ channel.
Communications Biology 5, 345. doi.org/10.1038/s42003-022-03303-1
Complete publication list: https://orcid.org/0000-0002-9202-0484
Current Funding
Decoding GNB1E: Advanced Drug Repurposing for Personalized Treatment
WWTF Precision Medicine Grant (2026–2030)
Potassium Kv10.1 Channel–Lipid Dysregulation in Disease
ASEA-UNINET / Ernst Mach Grant (2025–2028) to Phuong van Nguyen
Development of Allosteric Interactors of GIRK Channels Derived from Ethosuximide
India–Austria Science and Technology Cooperation/OeAD (2025–2027)
Innovation
Drug Screen for Rare Disease
Technology ID 2025/05
The University of Vienna claimed the rights to this invention in 2025. The technology focuses on computational approaches for identifying therapeutic opportunities in rare diseases.
Contact
Assoc. Prof. Dr. Anna Weinzinger
Department of Pharmaceutical Sciences
Division of Pharmacology and Toxicology
University of Vienna
