2024
DOI: 10.1021/acs.jctc.4c00294
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Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme

Sélène Forget,
Marie Juillé,
Elise Duboué-Dijon
et al.

Abstract: Self-splicing ribozymes are small ribonucleic acid (RNA) enzymes that catalyze their own cleavage through a transphosphoesterification reaction. While this process is involved in some specific steps of viral RNA replication and splicing, it is also of importance in the context of the (putative) first autocatalytic RNA-based systems that could have preceded the emergence of modern life. The uncatalyzed phosphoester bond formation is thermodynamically very unfavorable, and many experimental studies have focused … Show more

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