Effect of pH on the Supramolecular Structure of <i>Helicobacter pylori</i> Urease by Molecular Dynamics Simulations

Effect of pH on the Supramolecular Structure of <i>Helicobacter pylori</i> Urease by Molecular Dynamics Simulations

The effect of pH on the supramolecular structure of <i>Helicobacter pylori</i> 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 ass...

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Bibliographic Details
Main Authors: Haruna L. Barazorda-Ccahuana, Badhin Gómez, Francesc Mas, Sergio Madurga
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Polymers
Subjects:
molecular dynamics
semi-grand canonical
Monte Carlo
urease
Online Access:https://www.mdpi.com/2073-4360/12/11/2713

Internet

https://www.mdpi.com/2073-4360/12/11/2713

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