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

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