About the Authors

Christoph Scheich

Contributed equally to this work with: Christoph Scheich, Zoltán Szabadka

Current address: Evotec AG, Hamburg, Germany

Affiliation Combinature Biopharm AG, Berlin, Germany

Zoltán Szabadka

Contributed equally to this work with: Christoph Scheich, Zoltán Szabadka

Affiliations Department of Computer Science, Eötvös University, Budapest, Hungary, Uratim Ltd., Budapest, Hungary

Beáta Vértessy

Affiliations Institute of Enzymology, Hungarian Academy of Science, Budapest, Hungary, Department of Applied Biotechnology, University of Technology and Economics, Budapest, Hungary

Vera Pütter

Current address: Bayer Schering Pharma AG, Berlin, Germany

Affiliation Combinature Biopharm AG, Berlin, Germany

Vince Grolmusz

grolmusz@cs.elte.hu (VG); markus.schade@astrazeneca.com (MS)

Affiliations Department of Computer Science, Eötvös University, Budapest, Hungary, Uratim Ltd., Budapest, Hungary

Markus Schade

grolmusz@cs.elte.hu (VG); markus.schade@astrazeneca.com (MS)

Current address: AstraZeneca Ltd, DS Biophysics, Macclesfield, United Kingdom

Affiliation Combinature Biopharm AG, Berlin, Germany

Competing Interests

One or more of the authors have an affiliation to commercial funders, namely Uratim Ltd, Evotec AG, Bayer Schering Pharma AG and AstraZeneca Ltd, of biopharmaceutical research. This does not alter the authors' adherence to all the PLoS ONE policies on sharing data and materials.

Author Contributions

Conceived and designed the experiments: CS ZS BV VP VG MS. Performed the experiments: CS ZS VP VG MS. Analyzed the data: CS ZS BV VP VG MS. Contributed reagents/materials/analysis tools: CS ZS VP VG MS. Wrote the paper: CS ZS BV VG MS.