HIGHLIGHTS
- who: Haruna L. Barazorda-Ccahuana and collaborators from the Computational Chemistry (IQTCUB), University of Barcelona, C/Martí i Franquès, Barcelona, Spain have published the article: Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations, in the Journal: (JOURNAL)
- what: The authors determined the different protonation states at seven pHs by semi-grand canonical Monte Carlo (SGCMC) and the behavior of each system through molecular dynamic simulations. In Figure 9a the authors show the Cys321-Ni+2 distance corresponding to one of the flaps at pH 2 (3.1 . . .
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