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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...
Autores principales: | Ganguly, Abir, Thaplyal, Pallavi, Rosta, Edina, Bevilacqua, Philip C., Hammes-Schiffer, Sharon |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical
Society
2014
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3954522/ https://www.ncbi.nlm.nih.gov/pubmed/24383543 http://dx.doi.org/10.1021/ja4104217 |
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