Paraskevi Gkeka
Seminars
Wednesday 11th November 2026
Modelling Approaches to Understand RNA Structure, Dynamics, & Small Molecule Binding to Guide Target Selection & Improve Small Molecule Design
11:30 am
- Building HARIBOSS++, a curated RNA–small molecule binding database that accelerates rational design of RNA-targeted therapeutics
- Detecting binding sites in RNA ensembles with SHAMAN, enabling comprehensive druggability assessment across conformational space
- Parametrizing force fields for RNA dynamics to enhance the accuracy and reliability of computational predictions for drug discovery
