About the Authors

Vlad Cojocaru

vlad.cojocaru@mpi-muenster.mpg.de (VC); rebecca.wade@h-its.org (RCW)

Affiliations Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany, Department of Cell and Developmental Biology, Max Planck Institute for Molecular Biomedicine, Münster, Germany

Kia Balali-Mood

Current address: ID Business Solutions, London, United Kingdom

Affiliation Structural Bioinformatics and Computational Biochemistry Unit, Department of Biochemistry, University of Oxford, Oxford, United Kingdom

Mark S. P. Sansom

Affiliation Structural Bioinformatics and Computational Biochemistry Unit, Department of Biochemistry, University of Oxford, Oxford, United Kingdom

Rebecca C. Wade

vlad.cojocaru@mpi-muenster.mpg.de (VC); rebecca.wade@h-its.org (RCW)

Affiliation Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies, Heidelberg, Germany

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: VC KBM MSPS RCW. Performed the experiments: VC KBM. Analyzed the data: VC. Contributed reagents/materials/analysis tools: VC KBM MSPS. Wrote the paper: VC RCW. Obtained computer resources at DEISA (http://www.deisa.eu, Musiprol project): VC MSPS RCW. Obtained computer resources at EMSL, USA (http://www.emsl.pnl.gov/emslweb, GC 20895 project) VC RCW. Obtained financial support: MSPS RCW.