Combining experimental data and computer simulations to investigate dynamic molecular systems
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The key of the extraordinary functionality of ribonucleic acid, better known as RNA, is a highly flexible and dynamic structure. Yet, the experimental characterisation of its different configurations is rather complex. A study conducted by SISSA and published in Nucleic Acids Research combines experimental data and molecular dynamics simulations to reconstruct the different dominant and minority structures of a single RNA fragment, providing an innovative method to study highly dynamic molecular systems.