{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,21]],"date-time":"2025-11-21T06:14:11Z","timestamp":1763705651276,"version":"3.37.3"},"reference-count":38,"publisher":"Oxford University Press (OUP)","issue":"2","license":[{"start":{"date-parts":[[2019,7,27]],"date-time":"2019-07-27T00:00:00Z","timestamp":1564185600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100001659","name":"German Research Foundation","doi-asserted-by":"publisher","award":["BA2168\/16-1"],"award-info":[{"award-number":["BA2168\/16-1"]}],"id":[{"id":"10.13039\/501100001659","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002428","name":"Austrian science fund","doi-asserted-by":"publisher","award":["SFP F43"],"award-info":[{"award-number":["SFP F43"]}],"id":[{"id":"10.13039\/501100002428","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Regulation of the RNA transcriptome"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2020,1,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:sec>\n                  <jats:title>Motivation<\/jats:title>\n                  <jats:p>The folding dynamics of ribonucleic acids (RNAs) are typically studied via coarse-grained models of the underlying energy landscape to face the exponential growths of the RNA secondary structure space. Still, studies of exact folding kinetics based on gradient basin abstractions are currently limited to short sequence lengths due to vast memory requirements. In order to compute exact transition rates between gradient basins, state-of-the-art approaches apply global flooding schemes that require to memorize the whole structure space at once. pourRNA tackles this problem via local flooding techniques where memorization is limited to the structure ensembles of individual gradient basins.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Results<\/jats:title>\n                  <jats:p>Compared to the only available tool for exact gradient basin-based macro-state transition rates (namely barriers), pourRNA computes the same exact transition rates up to 10 times faster and requires two orders of magnitude less memory for sequences that are still computationally accessible for exhaustive enumeration. Parallelized computation as well as additional heuristics further speed up computations while still producing high-quality transition model approximations. The introduced heuristics enable a guided trade-off between model quality and required computational resources. We introduce and evaluate a macroscopic direct path heuristics to efficiently compute refolding energy barrier estimations for the co-transcriptionally trapped RNA sv11 of length 115\u2009nt. Finally, we also show how pourRNA can be used to identify folding funnels and their respective energetically lowest minima.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Availability and implementation<\/jats:title>\n                  <jats:p>pourRNA is freely available at https:\/\/github.com\/ViennaRNA\/pourRNA.<\/jats:p>\n               <\/jats:sec>\n               <jats:sec>\n                  <jats:title>Supplementary information<\/jats:title>\n                  <jats:p>Supplementary data are available at Bioinformatics online.<\/jats:p>\n               <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btz583","type":"journal-article","created":{"date-parts":[[2019,7,24]],"date-time":"2019-07-24T11:27:00Z","timestamp":1563967620000},"page":"462-469","source":"Crossref","is-referenced-by-count":5,"title":["pourRNA\u2014a time- and memory-efficient approach for the guided exploration of RNA energy landscapes"],"prefix":"10.1093","volume":"36","author":[{"given":"Gregor","family":"Entzian","sequence":"first","affiliation":[{"name":"Department of Theoretical Chemistry , Faculty of Chemistry, University of Vienna, Vienna 1090, Austria"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7926-5911","authenticated-orcid":false,"given":"Martin","family":"Raden","sequence":"additional","affiliation":[{"name":"Bioinformatics Group , Department of Computer Science, University of Freiburg, Freiburg 79110, Germany"}]}],"member":"286","published-online":{"date-parts":[[2019,7,27]]},"reference":[{"key":"2023013112081599000_btz583-B1","doi-asserted-by":"crossref","first-page":"5129","DOI":"10.1002\/j.1460-2075.1992.tb05620.x","article-title":"In vitro recombination and terminal elongation of RNA by Q beta replicase","volume":"11","author":"Biebricher","year":"1992","journal-title":"EMBO J"},{"key":"2023013112081599000_btz583-B2","first-page":"42","article-title":"Shape-based barrier estimation for RNAs","author":"Bogomolov","year":"2010","journal-title":"Proceedings of German Conference on Bioinformatics GCB\u201910"},{"key":"2023013112081599000_btz583-B3","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1089\/cmb.2005.12.83","article-title":"An efficient algorithm to compute the landscape of locally optimal RNA secondary structures with respect to the Nussinov-Jacobson energy model","volume":"12","author":"Clote","year":"2005","journal-title":"J Comput Biol"},{"key":"2023013112081599000_btz583-B4","doi-asserted-by":"crossref","first-page":"589","DOI":"10.1142\/S0219720006001904","article-title":"RNAkinetics: a web server that models secondary structure kinetics of an elongating RNA","volume":"4","author":"Danilova","year":"2006","journal-title":"J. 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