Assoz. Prof. Mag. Dr. Johannes Kirchmair

Josef-Holaubek-Platz 2 (UZA II)
1090 Wien

T: +43-1-4277-55104
johannes.kirchmair@univie.ac.at

Photo of Johannes Kirchmair

Foto © Computational Drug Discovery

 

Research

The Computational Drug Discovery and Design Group­

We focus on the development and application of innovative computational approaches for the discovery and design of functional small molecules, including pharmaceuticals, cosmetics and agrochemicals. Many of the in silico tools developed in our research group are accessible via NERDD, a scaleable and secure public web service.

Core research topics of our team include the development of in silico methods and models for the prediction of:

  • xenobiotic metabolism
  • toxicity of xenobiotics
  • macromolecular targets of small molecules (polypharmacology)
  • interference of small molecules with biological assays
  • 3D structures of small molecules (conformer ensembles)

Publications:


PhD students

Daniel Harrison FoilHosein FooladiSteffen Hirte
Roxane Axel JacobVincenzo PalmacciDaniel Rose
Vincent-Alexander ScholzThi Ngoc Lan VuMatthias Welsch
Huanni Zhang