About the Authors

Giordano Mancini

Contributed equally to this work with: Giordano Mancini, Ilda D’Annessa

Current address: Scuola Normale Superiore, Piazza dei Cavalieri, Pisa, Italy

Affiliation CASPUR Inter-University Consortium for the Application of Super-Computing for Universities and Research, Rome, Italy

Ilda D’Annessa

Contributed equally to this work with: Giordano Mancini, Ilda D’Annessa

Affiliation Department of Biology and Centro di Bioinformatica e Biostatistica, University of Rome Tor Vergata, Via Della Ricerca Scientifica, Rome, Italy

Andrea Coletta

Affiliation Department of Biology and Centro di Bioinformatica e Biostatistica, University of Rome Tor Vergata, Via Della Ricerca Scientifica, Rome, Italy

Giovanni Chillemi

Affiliation CASPUR Inter-University Consortium for the Application of Super-Computing for Universities and Research, Rome, Italy

Yves Pommier

Affiliation Laboratory of Molecular Pharmacology, National Cancer Institute, Bethesda, Maryland, United States of America

Mark Cushman

Affiliation Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, and The Purdue Center for Cancer Research, Purdue University, West Lafayette, Indiana, United States of America

Alessandro Desideri

desideri@uniroma2.it

Affiliation Department of Biology and Centro di Bioinformatica e Biostatistica, University of Rome Tor Vergata, Via Della Ricerca Scientifica, Rome, Italy

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: AD GC GM ID. Performed the experiments: GM ID AC. Analyzed the data: GM ID. Contributed reagents/materials/analysis tools: GC AD. Wrote the paper: ID AD GM. Run the simulations: GM. Analyzed the data: GM ID AC. Prepared the images: GM ID. Wrote the manuscript: ID AD GM. Supervised of the experiments: GC AD. Supervised the manuscript: YP MC.