Dataset showing the impact of the protonation states on molecular dynamics of HIV protease

The data described here supports the research article “Unraveling HIV Protease Flaps Dynamics by Constant pH Molecular Dynamics Simulations” (Soares et al., 2016) [1]. The data involves both standard Molecular Dynamics (MD) and Constant pH Molecular Dynamics (CpHMD) to elucidate the effect of proton...

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Detalles Bibliográficos
Autores principales: Soares, Rosemberg O., Torres, Pedro H.M., da Silva, Manuela L., Pascutti, Pedro G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2016
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4976645/
https://www.ncbi.nlm.nih.gov/pubmed/27536715
http://dx.doi.org/10.1016/j.dib.2016.07.040

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4976645/
https://www.ncbi.nlm.nih.gov/pubmed/27536715
http://dx.doi.org/10.1016/j.dib.2016.07.040

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