About the Authors

Clara Carolina Silva De Oliveira

Contributed equally to this work with: Clara Carolina Silva De Oliveira, Gabriel Rodrigues Coutinho Pereira, Joelma Freire De Mesquita

Roles Conceptualization, Formal analysis, Investigation, Methodology, Writing – original draft

Affiliation Department of Genetics and Molecular Biology, Bioinformatics and Computational Biology Laboratory, Federal University of the State of Rio de Janeiro (UNIRIO), Rio de Janeiro, Rio de Janeiro, Brazil

Gabriel Rodrigues Coutinho Pereira

Contributed equally to this work with: Clara Carolina Silva De Oliveira, Gabriel Rodrigues Coutinho Pereira, Joelma Freire De Mesquita

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Validation, Writing – original draft

Affiliation Department of Genetics and Molecular Biology, Bioinformatics and Computational Biology Laboratory, Federal University of the State of Rio de Janeiro (UNIRIO), Rio de Janeiro, Rio de Janeiro, Brazil

Jamile Yvis Santos De Alcantara

Roles Investigation, Methodology

‡ These authors also contributed equally to this work.

Affiliation Department of Genetics and Molecular Biology, Bioinformatics and Computational Biology Laboratory, Federal University of the State of Rio de Janeiro (UNIRIO), Rio de Janeiro, Rio de Janeiro, Brazil

Deborah Antunes

Roles Formal analysis, Methodology, Validation, Writing – original draft

‡ These authors also contributed equally to this work.

Affiliation Computational Biophysics and Molecular Modeling Group, Scientific Computing Program (PROCC), Fundação Oswaldo Cruz, Manguinhos, Rio de Janeiro, Brazil

Ernesto Raul Caffarena

Roles Methodology, Software, Writing – original draft

‡ These authors also contributed equally to this work.

Affiliation Computational Biophysics and Molecular Modeling Group, Scientific Computing Program (PROCC), Fundação Oswaldo Cruz, Manguinhos, Rio de Janeiro, Brazil

Joelma Freire De Mesquita

Contributed equally to this work with: Clara Carolina Silva De Oliveira, Gabriel Rodrigues Coutinho Pereira, Joelma Freire De Mesquita

Roles Conceptualization, Funding acquisition, Project administration, Resources, Supervision, Writing – review & editing

joelma.mesquita@unirio.br

Affiliation Department of Genetics and Molecular Biology, Bioinformatics and Computational Biology Laboratory, Federal University of the State of Rio de Janeiro (UNIRIO), Rio de Janeiro, Rio de Janeiro, Brazil

Competing Interests

NVIDIA’s GPU Grant Program recently donated (1) Titan X Pascal GPU for our research group. This donation is an unrestricted gift to support our research efforts and comes at no charge. There are no patents, products in development or marketed products to declare. This does not alter our adherence to all the PLOS ONE policies on sharing data and materials.