About the Authors

Christian P. Koch

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Anna M. Perna

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Max Pillong

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Nickolay K. Todoroff

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Paul Wrede

Affiliation Charite-Universitätsmedizin Berlin, Molekularbiologie und Bioinformatik, Berlin, Germany

Gerd Folkers

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Jan A. Hiss

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Gisbert Schneider

gisbert.schneider@pharma.ethz.ch

Affiliation ETH Zürich, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences, Zürich, Switzerland

Competing Interests

I have read the journal's policy and have the following conflicts: GS acts as a scientific consultant to pharmaceutical industry and is a co-founder of inSili.com LLC, Zürich, and AlloCyte Pharmaceuticals Ltd, Basel. The authors have declared that no other competing interests exist.

Author Contributions

Conceived and designed the experiments: PW GF JAH GS. Performed the experiments: CPK AMP MP NKT. Analyzed the data: CPK AMP MP PW GF JAH GS. Contributed reagents/materials/analysis tools: MP NKT. Wrote the paper: CPK AMP GS. Designed and set-up the software server used in analysis: CPK NKT GS.