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Internal Normal Mode Analysis Applied to RNA Flexibility and Conformational Changes.
J Chem Inf Model, 63(8):2554-2572.
We investigated the capability of internal normal modes to reproduce RNAflexibility and predict observed RNA conformational changes and, notably, thoseinduced by the formation of RNA-protein and RNA-ligand complexes. Here, weextended our iNMA approach developed for proteins to study RNA molecules using asimplified representation of the RNA structure and its potential energy. Threedata sets were also created to investigate different aspects. Despite all theapproximations, our study shows that iNMA is a suitable method to take intoaccount RNA flexibility and describe its conformational changes opening the routeto its applicability in any integrative approach where these properties arecrucial.
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