Long-Range Charge Transfer Mechanism of the III2IV2 Mycobacterial Supercomplex

Long-Range Charge Transfer Mechanism of the III2IV2 Mycobacterial Supercomplex

- Short MD simulations of M. smegmatis III_2 IV_2 SC - Simulation example scripts - Force field parameters - Electron transfer scripts and raw data - Kinetic models - QM/MM starting snapshots - QM cluster coordinates - Raw data for all plots

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Bibliographische Detailangaben
Hauptverfasser: Riepl, Daniel, Gamiz-Hernandez, Ana P., Kovalova, Terezia, Król, Sylwia M., Mader, Sophie L., Sjöstrand, Dan, Högbom, Martin, Brzezinski, Peter, Kaila, Ville R. I.
Format: Dataset
Sprache:eng
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Beschreibung
Zusammenfassung:- Short MD simulations of M. smegmatis III_2 IV_2 SC - Simulation example scripts - Force field parameters - Electron transfer scripts and raw data - Kinetic models - QM/MM starting snapshots - QM cluster coordinates - Raw data for all plots
DOI:10.5281/zenodo.10118428