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Peer-Review Record

Modeling and Molecular Dynamics of the 3D Structure of the HPV16 E7 Protein and Its Variants

Int. J. Mol. Sci. 2021, 22(3), 1400; https://doi.org/10.3390/ijms22031400
by Ciresthel Bello-Rios 1, Sarita Montaño 2,*, Olga Lilia Garibay-Cerdenares 1,3, Lilian Esmeralda Araujo-Arcos 1, Marco Antonio Leyva-Vázquez 1 and Berenice Illades-Aguiar 1,*
Reviewer 1: Anonymous
Reviewer 2: Anonymous
Int. J. Mol. Sci. 2021, 22(3), 1400; https://doi.org/10.3390/ijms22031400
Submission received: 23 December 2020 / Revised: 12 January 2021 / Accepted: 26 January 2021 / Published: 30 January 2021
(This article belongs to the Section Molecular Informatics)

Round 1

Reviewer 1 Report

Authors report an attempt to investigate the structure of E7 protein and its variants by means of computational biochemistry. The results, in general, seem to be backed by the modeling performed. Nevertheless, they say little about the mechanism of E7 protein variants oncogenicity. It would be better to explore more and add these data to paper.

Author Response

Please see the attachment.

Author Response File: Author Response.docx

Reviewer 2 Report

Paper by Ciresthel Bello-Rios et all presents the results of molecular dynamics simulation of HPV16 E7 protein and its two variants. Authors show how modifications of E7 reference protein change its 3D structure. The presented work is well written, however, there is a few methodological information missing. 

I recommend publication after minor revision regarding details of molecular dynamics simulation set up. 

Line 135 - What is RG - is its radius of gyration? If so unify the notation 

What thermostat and barostat did you use for MD simulations? 

What boundary conditions were applied?

What was the time step?

Was the system with water equilibrated before the simulation?

 

Author Response

Please see the attachment

Author Response File: Author Response.docx

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