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Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Self-Cleavage Reaction in the Hepatitis Delta Virus Ribozyme

[Image: see text] The hepatitis delta virus (HDV) ribozyme catalyzes a self-cleavage reaction using a combination of nucleobase and metal ion catalysis. Both divalent and monovalent ions can catalyze this reaction, although the rate is slower with monovalent ions alone. Herein, we use quantum mechan...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Hauptverfasser: Ganguly, Abir, Thaplyal, Pallavi, Rosta, Edina, Bevilacqua, Philip C., Hammes-Schiffer, Sharon
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2014
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3954522/
https://ncbi.nlm.nih.gov/pubmed/24383543
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja4104217
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