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.
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 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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