PhD Student
Computational Drug Discovery

Licensed Pharmacist

E-Mail: malte.grieswelle@uni-muenster.de
ORCID: 0000-0002-1489-5752
Institute of Pharmaceutical and Medicinal Chemistry
Corrensstr. 48
48149 Münster

Research Topic

The initial focus of my research endeavors pertains to the development of a uniform benchmark framework aimed at evaluating the efficacy of molecular representations across diverse domains, encompassing virtual screening, scaffold hopping potential, diversity selection, and property prediction. Subsequent efforts will be directed towards leveraging and developing protein structure-informed methodologies to optimize ligands through the application and improvement of generative computational models such as genetic algorithms in the realm of drug design.