Prof. Dr. Amedeo Caflisch

Area of Research

Description of Research Interest

Computer-aided drug design, computational structural biology. In-house software and simulation protocols have been established for drug-design, in particular for fragment-based high-throguhput docking. During the past 15 years the Caflisch group has established a full pipeline from gene to high-resolution crystal structures. The combination of our software for docking and in house medicinal chemistry has resulted in potent and selective chemical probes for tyrosine kinases, the CREBBP bromodomain, and METTL3-METTL14. 
Currently, we are further developing our chemical probes for epitranscriptomic targets involved in cancer: the m6A-RNA writer METTL3-METTL14 and the readers YTHDC1 and YTHDF2.  The synergistic combination of experimental biophysics methods and state of the art atomistic simulations is currently being used to investigate the m6A-RNA machinery in cellular physiology and disease.

Special Expertise

Docking
Molecular dynamics
Protein X-ray crystallography
Medicinal chemistry

Shareable Platforms, Services, Equipment & Infrastructure

Compute cluster