@article{Mann_basin_14, author = {Martin Mann and Marcel Kucharik and Christoph Flamm and Michael T. Wolfinger}, title = {Memory efficient {RNA} energy landscape exploration}, journal= {Bioinformatics}, year = {2014}, pages = {2584-2591}, volume = {30}, number = {18}, arxiv= {1404.0270}, doi = {10.1093/bioinformatics/btu337}, pmid = {24833804}, issn = {1367-4811}, issn = {1367-4803}, user = {mmann}, abstract= {Energy landscapes provide a valuable means for studying the folding dynamics of short RNA molecules in detail by modeling all possible structures and their transitions. Higher abstraction levels based on a macro-state decomposition of the landscape enable the study of larger systems, however they are still restricted by huge memory requirements of exact approaches. We present a highly parallelizable local enumeration scheme that enables the computation of exact macro-state transition models with highly reduced memory requirements. The approach is evaluated on RNA secondary structure landscapes using a gradient basin definition for macro-states. Furthermore, we demonstrate the need for exact transition models by comparing two barrier-based appoaches and perform a detailed investigation of gradient basins in RNA energy landscapes. Source code is part of the C++ Energy Landscape Library available at http://www.bioinf.uni-freiburg.de/Software/.} }