About the Authors

Søren Skovstrup

Affiliations Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Copenhagen, Denmark, Department of Computational Chemistry, H. Lundbeck A/S, Valby, Denmark

Laurent David

Affiliation Department of Computational Chemistry, H. Lundbeck A/S, Valby, Denmark

Olivier Taboureau

Affiliation Center for Biological Sequence Analysis, Department of Systems Biology, Technical University of Denmark, Building 208, Lyngby, Denmark

Flemming Steen Jørgensen

fsj@farma.ku.dk

Affiliation Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen, Copenhagen, Denmark

Competing Interests

Laurent David (co-author) is employed in the company H. Lundbeck & Co., but there are no competing interests between the company and the work descibed in this manuscript. 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: SS. Performed the experiments: SS. Analyzed the data: SS. Contributed reagents/materials/analysis tools: SS. Wrote the paper: SS LD OT FSJ.