Joel Ricci-López: Role: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole:
Writing – original draft
Abraham Vidal-Limon: Role: Formal analysisRole: InvestigationRole: SupervisionRole: Writing – review &
editing
Matías Zunñiga: Role: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole:
SoftwareRole: Writing – review & editing
Verónica A. Jimènez: Role: ConceptualizationRole: Formal analysisRole: Funding acquisitionRole: InvestigationRole:
ResourcesRole: SoftwareRole: SupervisionRole: ValidationRole: Writing – review & editing
Joel B. Alderete: Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole:
ResourcesRole: SupervisionRole: Writing – review & editing
Carlos A. Brizuela: Role: ConceptualizationRole: Data curationRole: Formal analysisRole: InvestigationRole:
MethodologyRole: ResourcesRole: SoftwareRole: SupervisionRole: Writing – review &
editing
Sergio Aguila:
ORCID: http://orcid.org/0000-0002-8497-2821
Role: ConceptualizationRole: Formal analysisRole: Funding acquisitionRole: InvestigationRole:
MethodologyRole: Project administrationRole: ResourcesRole: SoftwareRole: SupervisionRole:
Writing – original draft
Francesca Spyrakis: Role: Editor
Journal ID (nlm-ta): PLoS One
Journal ID (iso-abbrev): PLoS ONE
Journal ID (publisher-id): plos
Journal ID (pmc): plosone
Title:
PLoS ONE
Publisher:
Public Library of Science
(San Francisco, CA USA
)
ISSN
(Electronic):
1932-6203
Publication date
(Electronic):
15
March
2019
Publication date Collection: 2019
Volume: 14
Issue: 3
Electronic Location Identifier: e0213028
Affiliations
[1
]
Centro de Nanociencias y Nanotecnología, Universidad Nacional Autonoma de Mèxico,
Ensenada, Baja California, México
[2
]
Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres
Bello, Sede Concepción, Chile
[3
]
Departamento de Química Orgánica, Facultad de Ciencias Químicas, Universidad de Concepción,
Concepción, Chile
[4
]
Instituto de Química de Recursos Naturales, Universidad de Talca, Talca, Chile
[5
]
Computer Science Department, CICESE Research Center, Ensenada, Mèxico
Universita degli Studi di Torino, ITALY
Author notes
Competing Interests: The authors have declared that no competing interests exist.
Author information
Article
Publisher ID:
PONE-D-18-30992
DOI: 10.1371/journal.pone.0213028
PMC ID: 6420176
PubMed ID: 30875378
SO-VID: adfb8e32-5531-4617-a67d-8907bb75fb98
Copyright © © 2019 Ricci-López et al
License:
This is an open access article distributed under the terms of the
Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided
the original author and source are credited.
Funded by: CONACYT
Award ID: 693115
Award Recipient
:
Joel Ricci-López
Funded by: DGAPA-UNAM
Award ID: Fellowship
Award Recipient
:
Abraham Vidal-Limon
Funded by: LANCAD
Award ID: LANCAD-UNAM-DGTIC-286
Award Recipient
:
ORCID: http://orcid.org/0000-0002-8497-2821
Sergio Aguila
Funded by: FONDECYT
Award ID: 1160060
Award Recipient
:
Verónica A. Jimènez
This work was supported by LANCAD-UNAM-DGTIC-286 grant at DGTIC- UNAM; FONDECYT 1160060
grant at Universidad Andres Bello (UNAB), Chile; CONACYT 693115 scholarship grant
of JRL and DGAPA-UNAM fellowship of AVL. The funders had NO role in study design,
data collection and analysis, decision to publish, or preparation of the manuscript.
Subject:
Research Article
Subject:
Physical Sciences
Subject:
Chemistry
Subject:
Computational Chemistry
Subject:
Molecular Dynamics
Subject:
Physical Sciences
Subject:
Physics
Subject:
Thermodynamics
Subject:
Free Energy
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Biochemical Simulations
Subject:
Biology and Life Sciences
Subject:
Computational Biology
Subject:
Biochemical Simulations
Subject:
Medicine and Health Sciences
Subject:
Urology
Subject:
Genitourinary Infections
Subject:
Human Papillomavirus Infection
Subject:
Medicine and Health Sciences
Subject:
Infectious Diseases
Subject:
Sexually Transmitted Diseases
Subject:
Human Papillomavirus Infection
Subject:
Medicine and Health Sciences
Subject:
Infectious Diseases
Subject:
Viral Diseases
Subject:
Human Papillomavirus Infection
Subject:
Biology and Life Sciences
Subject:
Biochemistry
Subject:
Proteins
Subject:
Protein Interactions
Subject:
Medicine and Health Sciences
Subject:
Pharmacology
Subject:
Drug Research and Development
Subject:
Biology and life sciences
Subject:
Organisms
Subject:
Viruses
Subject:
DNA viruses
Subject:
Papillomaviruses
Subject:
HPV-16
Subject:
Biology and Life Sciences
Subject:
Microbiology
Subject:
Medical Microbiology
Subject:
Microbial Pathogens
Subject:
Viral Pathogens
Subject:
Papillomaviruses
Subject:
HPV-16
Subject:
Medicine and Health Sciences
Subject:
Pathology and Laboratory Medicine
Subject:
Pathogens
Subject:
Microbial Pathogens
Subject:
Viral Pathogens
Subject:
Papillomaviruses
Subject:
HPV-16
Subject:
Biology and Life Sciences
Subject:
Organisms
Subject:
Viruses
Subject:
Viral Pathogens
Subject:
Papillomaviruses
Subject:
HPV-16
Subject:
Research and Analysis Methods
Subject:
Mathematical and Statistical Techniques
Subject:
Statistical Methods
Subject:
Multivariate Analysis
Subject:
Principal Component Analysis
Subject:
Physical Sciences
Subject:
Mathematics
Subject:
Statistics
Subject:
Statistical Methods
Subject:
Multivariate Analysis
Subject:
Principal Component Analysis