About the Authors

Giulia Palermo

Affiliation Laboratory of Molecular Modeling and Drug Discovery, Istituto Italiano di Tecnologia, Genova, Italy

Inga Bauer

Affiliation CompuNet, Istituto Italiano di Tecnologia, Genova, Italy

Pablo Campomanes

Affiliation Laboratory of Computational Chemistry and Biochemistry, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland

Andrea Cavalli

Affiliations CompuNet, Istituto Italiano di Tecnologia, Genova, Italy, Department of Pharmacy and Biotechnology, University of Bologna, Bologna, Italy

Andrea Armirotti

Affiliation D3-PharmaChemistry, Istituto Italiano di Tecnologia, Genova, Italy

Stefania Girotto

Affiliation CompuNet, Istituto Italiano di Tecnologia, Genova, Italy

Ursula Rothlisberger

Affiliation Laboratory of Computational Chemistry and Biochemistry, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland

Marco De Vivo

marco.devivo@iit.it

Affiliation Laboratory of Molecular Modeling and Drug Discovery, Istituto Italiano di Tecnologia, Genova, Italy

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: GP AA SG UR MDV. Performed the experiments: GP IB AA. Analyzed the data: GP IB PC AC AA SG UR MDV. Wrote the paper: GP SG UR MDV.