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Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations

The effect of pH on the supramolecular structure of Helicobacter pylori urease was studied by means of molecular dynamics simulations at seven different pHs. Appropriate urease charge distributions were calculated using a semi-grand canonical Monte Carlo (SGCMC) procedure that assigns each residue’s...

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Publicado en:Polymers (Basel)
Autores principales: Barazorda-Ccahuana, Haruna L., Gómez, Badhin, Mas, Francesc, Madurga, Sergio
Formato: Artigo
Lenguaje:Inglês
Publicado: MDPI 2020
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC7696613/
https://ncbi.nlm.nih.gov/pubmed/33212749
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym12112713
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