Sélène Forget

Mapping Active-Site Conformational Ensembles Along Competing Catalytic Pathways of the Hairpin Ribozyme

This study uses molecular dynamics simulations to analyze the conformational ensembles of the hairpin ribozyme's active site along competing catalytic pathways, finding that monoanionic pathways are more favorable than a dianionic mechanism.

Exploring RNA conformational ensembles in silico: progress and challenges

This paper reviews computational strategies for exploring RNA conformational ensembles, focusing on energy landscape-based approaches and atomistic simulations, and discusses challenges and future directions.

Critical structural perturbations of ribozyme active sites induced by 2'-O-methylation commonly used in structural studies

The paper shows that 2'-O-methylation alters ribozyme active site geometries and reaction mechanisms, challenging assumptions about its role in stabilizing pre-catalytic conformations.