Berlin 2018 – wissenschaftliches Programm
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BP: Fachverband Biologische Physik
BP 15: Postersession III
BP 15.100: Poster
Dienstag, 13. März 2018, 14:00–16:00, Poster B
RNA structure prediction using evolutionary constraints — •Mehari Bayou Zerihun1, 2 and Alexander Schug1, 3 — 1Steinbuch Centre for Computing, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany — 2Department of Physics, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany — 3John von Neumann Institute for Computing, Jülich Supercomputer Centre, Forschungszentrum Jülich, 52428 Jülich, Germany
Non-coding RNAs are involved in regulatory functions in cells. Understanding their three-dimensional structure helps to understand their function as structure and function are closely related. However, the extremely flexible nature of these biomolecules makes the experimental determination of their structure very challenging. A complementary approach is computational structure prediction starting from the sequences. Sequences undergo mutations during the course of evolution. To maintain structure and function, these mutations must be complementary, resulting in residue coevolution. We use direct-coupling analysis (DCA) to extract coevolving residue pairs and integrated the resulting information with molecular modeling tools for RNA structure prediction. The accuracy of this structure prediction workflow is tested by comparing predicted structures with experimental ones for RNAs of a known three-dimensional structure.