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bioRxiv · 10.1101/2022.11.30.518608

Internal Normal Mode Analysis applied to RNA flexibility and conformational changes

Sabei, A.·Caldas Baia, T. G.·Saffar, R.·Martin, J.·Frezza, E.
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Abstract

We investigated the capability of internal normal modes to reproduce RNA dynamics and predict observed RNA conformational changes, and, notably, those induced by the formation of RNA-protein and RNA-ligand complexes. Here, we extended our iNMA approach developed for proteins to study RNA molecules using a simplified representation of RNA structure and its potential energy. Three datasets were also created to investigate different aspects. Despite all the approximations, our study shows that iNMA is a suitable method to take into account RNA flexibility and describe its conformational changes opening the route to its applicability in any integrative approach where these properties are crucial.

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Sabei, A., Caldas Baia, T. G., Saffar, R., Martin, J., Frezza, E.. 2022-12-01. Internal Normal Mode Analysis applied to RNA flexibility and conformational changes. https://doi.org/10.1101/2022.11.30.518608

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