{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T06:27:25Z","timestamp":1792736845825,"version":"4.5.0"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2024,1,16]],"date-time":"2024-01-16T00:00:00Z","timestamp":1705363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,1,16]],"date-time":"2024-01-16T00:00:00Z","timestamp":1705363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,1,16]],"date-time":"2024-01-16T00:00:00Z","timestamp":1705363200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100007890","name":"University of North Carolina at Chapel Hill","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100007890","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["R35GM147498"],"award-info":[{"award-number":["R35GM147498"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,2,12]]},"DOI":"10.1021\/acs.jcim.3c01454","type":"journal-article","created":{"date-parts":[[2024,1,16]],"date-time":"2024-01-16T06:50:29Z","timestamp":1705387829000},"page":"1017-1029","source":"Crossref","is-referenced-by-count":11,"title":["Mechanism of Ligand Binding to Theophylline RNA Aptamer"],"prefix":"10.1021","volume":"64","author":[{"given":"Sana","family":"Akhter","sequence":"first","affiliation":[{"name":"Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhichao","family":"Tang","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0162-212X","authenticated-orcid":true,"given":"Jinan","family":"Wang","sequence":"additional","affiliation":[{"name":"Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mercy","family":"Haboro","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2624-0806","authenticated-orcid":true,"given":"Erik D","family":"Holmstrom","sequence":"additional","affiliation":[{"name":"Department of Molecular Biosciences and Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9414-4093","authenticated-orcid":true,"given":"Jingxin","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Medicinal Chemistry, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3714-1395","authenticated-orcid":true,"given":"Yinglong","family":"Miao","sequence":"additional","affiliation":[{"name":"Computational Biology Program and Department of Molecular Biosciences, University of Kansas, Lawrence, Kansas 66047, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,1,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.221593598"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2213117119"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1177\/2472555219885373"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0902-646"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.biotechadv.2014.11.011"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00395"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/d41573-020-00078-0"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1038\/s41419-022-05075-2"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/nrd.2018.93"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/nrd3141"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acssynbio.9b00475"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0176229"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0897-644"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1521"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.2c00149"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c01390"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkab602"},{"key":"ref18\/cit18a","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbagen.2014.08.004"},{"key":"ref18\/cit18b","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10349"},{"key":"ref19\/cit19a","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1104614108"},{"key":"ref19\/cit19b","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-35266-x"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01194"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1103547108"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/minf.201501018"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.5024217"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ct1005399"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b02654"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.1942487"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/ja028383j"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1017\/S1355838200000169"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/ct900200k"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ct200162x"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/5.0019056"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1121"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00194"},{"key":"ref35\/cit35a","doi-asserted-by":"publisher","DOI":"10.1021\/jp8001614"},{"key":"ref35\/cit35b","doi-asserted-by":"publisher","DOI":"10.1021\/ct500918t"},{"key":"ref35\/cit35c","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01390"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.3432761"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1109\/WCCAIS.2014.6916622"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1126\/science.7510417"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7000-1_26"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01085"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00641"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2018.02.038"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.5083227"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1038\/srep10658"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1080\/15476286.2016.1274853"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01454","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01454","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,2,12]],"date-time":"2024-02-12T04:12:26Z","timestamp":1707711146000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c01454"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1,16]]},"references-count":51,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2024,2,12]]}},"alternative-id":["10.1021\/acs.jcim.3c01454"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c01454","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1,16]]}}}