Area of research
Computational Theory and Mathematics · Molecular Biology
Research interest
Research interests include Computational Drug Discovery Methods, Protein Structure and Dynamics, Enzyme Structure and Function, and Machine Learning in Materials Science.
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information
KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome
11th German Conference on Chemoinformatics (GCC 2015)
DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment