2023
DOI: 10.1021/acs.jcim.2c01509
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Internal Normal Mode Analysis Applied to RNA Flexibility and Conformational Changes

Abstract: We investigated the capability of internal normal modes to reproduce RNA flexibility 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 the RNA structure and its potential energy. Three data sets were also created to investigate different aspects. Despite all the approximations, our study shows that iNMA is a su… Show more

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