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...

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Hlavní autoři: Ganguly, Abir, Thaplyal, Pallavi, Rosta, Edina, Bevilacqua, Philip C., Hammes-Schiffer, Sharon
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2014
On-line přístup: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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