Thomas E. O. Schubert

KIRA6 is an effective and versatile mast cell inhibitor of IgE-mediated activation

This study identifies KIRA6 as a dual inhibitor of LYN and FYN that suppresses IgE-mediated mast cell activation and inflammation.

In Silico Driven Prediction of MAPK14 Off-Targets Reveals Unrelated Proteins with High Accuracy

The paper predicts off-targets of a MAPK14 inhibitor using in silico methods and validates them experimentally, achieving a 46% hit rate.

Focus Your Screening Library: Rapid Identification of Novel PDE2 Inhibitors with in silico Driven Library Prioritization and MicroScale Thermophoresis

The paper uses AI-based drug screening and biophysics to identify novel PDE2 inhibitors from a chemical library, achieving a 6% hit rate with compounds showing micromolar affinities.

Identifying Novel Targets by using Drug-binding Site Signature: A Case Study of Kinase Inhibitors

The paper introduces iDTPnd, a computational method to identify novel drug targets by analyzing structural signatures of drug binding sites, validated with in vitro experiments on kinase inhibitors.