{"doi":"10.1021/acs.jcim.3c00741","title":"Sequence-Dependent Properties of the RNA Duplex","abstract":null,"journal":"Journal of Chemical Information and Modeling","year":2023,"id":642620,"datarank":0.3795251187137791,"base_score":2.1972245773362196,"endowment":2.1972245773362196,"self_citation_contribution":0.32958368660043297,"citation_network_contribution":0.049941432113346125,"self_endowment_contribution":0.32958368660043297,"citer_contribution":0.049941432113346125,"corpus_percentile":null,"corpus_rank":null,"citation_count":8,"citer_count":5,"citers_with_citation_signal":4,"citers_with_endowment":4,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1671633,"name":"Alba Sala","orcid":"0000-0003-1046-7432","position":1,"is_corresponding":false},{"id":1545091,"name":"Adam Hospital","orcid":"0000-0002-8291-8071","position":2,"is_corresponding":false},{"id":858008,"name":"Modesto Orozco","orcid":"0000-0002-8608-3278","position":3,"is_corresponding":false},{"id":1393994,"name":"Federica Battistini","orcid":"0000-0002-7544-0938","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Sequence-Dependent Properties of the RNA Duplex","abstract":"Sequence-dependent properties of the DNA duplex have been accurately described using extensive molecular dynamics simulations. The RNA duplex meanwhile─which is typically represented as a sequence-averaged rigid rod─does not benefit from having equivalent molecular dynamics simulations. In this paper, we present a massive simulation effort using a set of ABC-optimized duplexes from which we derived tetramer-resolution properties of the RNA duplex and a simple mesoscopic model that can represent elastic properties of long RNA duplexes. Despite the extreme chemical similarity between DNA and RNA, the local and global elastic properties of the duplexes are very different. DNA duplexes show a complex and nonelastic pattern of flexibility, for instance, while RNA duplexes behave as an elastic system whose deformations can be represented by simple harmonic potentials. In RNA duplexes (RNA 2 ), not only are intra- and interbase pair parameters (equilibrium and mechanical) different from those in the equivalent DNA duplex sequences (DNA 2 ) but the correlations between movements also differ. Simple statements on the relative flexibility or stability of both polymers are meaningless and should be substituted by a more detailed description depending on the sequence and the type of deformation considered.","is_dataset_classified":null,"base_score":2.0794415416798357,"endowment":2.0794415416798357,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"37577978","pmcid":null,"openalex_id":"https://openalex.org/W4385798117","authors":[],"funders":[{"funder_name":"Ministerio de Ciencia e Innovaci?n","grant_id":"PCI2022-134976-2","title":null},{"funder_name":"Ministerio de Ciencia e Innovaci?n","grant_id":"PID2021-122478NB-I00","title":null},{"funder_name":"Ministerio de Ciencia e Innovaci?n","grant_id":"RTI2018-096704-B-100","title":null},{"funder_name":"European Regional Development Fund","grant_id":"SGR2021 00863","title":null},{"funder_name":"H2020 Research Infrastructures","grant_id":"101094651","title":null},{"funder_name":"Instituto de Salud Carlos III","grant_id":"ISCIII PT 17/0009/0007","title":null},{"funder_name":"Instituci? Catalana de Recerca i Estudis Avan?ats","grant_id":"","title":null},{"funder_name":"Ministerio de Econom?a y Competitividad","grant_id":"","title":null}],"total_grants":8,"fwci":0.6492,"citation_percentile":0.64697991,"influential_citations":0,"citation_trend":[{"year":2024,"count":2},{"year":2025,"count":5}],"oa_status":"closed","license":"https://doi.org/10.15223/policy-029","oa_locations":[{"url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00741","host_type":"publisher"},{"url":"https://doi.org/10.1021/acs.jcim.3c00741","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/37577978","host_type":"repository"}],"fields_of_study":["RNA and protein synthesis mechanisms","DNA and Nucleic Acid Chemistry","Bacteriophages and microbial interactions","RNA","Nucleic Acid Conformation","DNA","Molecular Dynamics Simulation","Polymers","Thermodynamics"],"mesh_terms":["DNA","Nucleic Acid Conformation","Polymers","RNA","Thermodynamics","Molecular Dynamics Simulation"],"keywords":["Duplex (building)","RNA","DNA","Sequence (biology)","Molecular dynamics","Tetramer","Chemistry","Biophysics","Biology","Computational chemistry","Genetics","Biochemistry"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-08T01:13:36.784919Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}