{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,5,12]],"date-time":"2025-05-12T08:40:03Z","timestamp":1747039203737,"version":"3.40.5"},"reference-count":30,"publisher":"American Chemical Society (ACS)","issue":"9","license":[{"start":{"date-parts":[[2025,4,18]],"date-time":"2025-04-18T00:00:00Z","timestamp":1744934400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,4,18]],"date-time":"2025-04-18T00:00:00Z","timestamp":1744934400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,4,18]],"date-time":"2025-04-18T00:00:00Z","timestamp":1744934400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100010661","name":"Horizon 2020 Framework Programme","doi-asserted-by":"publisher","award":["945539"],"award-info":[{"award-number":["945539"]}],"id":[{"id":"10.13039\/100010661","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100031478","name":"NextGenerationEU","doi-asserted-by":"publisher","award":["PE0000006"],"award-info":[{"award-number":["PE0000006"]}],"id":[{"id":"10.13039\/100031478","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,5,12]]},"DOI":"10.1021\/acs.jcim.5c00165","type":"journal-article","created":{"date-parts":[[2025,4,18]],"date-time":"2025-04-18T10:44:35Z","timestamp":1744973075000},"page":"4257-4262","source":"Crossref","is-referenced-by-count":0,"title":["Structural Systems Biology Toolkit (SSBtoolkit): From Molecular Structure to Subcellular Signaling Pathways"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9939-2013","authenticated-orcid":true,"given":"Rui Pedro","family":"Ribeiro","sequence":"first","affiliation":[{"name":"Department of Biotechnology","place":["Verona, Italy"]},{"name":"University of Verona","place":["Verona, Italy"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jonas","family":"Go\u00dfen","sequence":"additional","affiliation":[{"name":"IAS-5\/INM-9","place":["J\u00fclich, Germany"]},{"name":"Forschungszentrum","place":["J\u00fclich, Germany"]},{"name":"Faculty of Mathematics","place":["Aachen, Germany"]},{"name":"Computer Science and Natural Sciences RWTH Aachen University","place":["Aachen, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2032-4630","authenticated-orcid":true,"given":"Giulia","family":"Rossetti","sequence":"additional","affiliation":[{"name":"IAS-5\/INM-9","place":["J\u00fclich, Germany"]},{"name":"Forschungszentrum","place":["J\u00fclich, Germany"]},{"name":"J\u00fclich Supercomputing Center, Forschungszentrum","place":["J\u00fclich, Germany"]},{"name":"Department of Neurology","place":["Aachen, Germany"]},{"name":"University Hospital RWTH Aachen","place":["Aachen, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8738-6150","authenticated-orcid":true,"given":"Alejandro","family":"Giorgetti","sequence":"additional","affiliation":[{"name":"Department of Biotechnology","place":["Verona, Italy"]},{"name":"University of Verona","place":["Verona, Italy"]},{"name":"IAS-5\/INM-9","place":["J\u00fclich, Germany"]},{"name":"Forschungszentrum","place":["J\u00fclich, Germany"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2025,4,18]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.coisb.2019.10.019"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/psp4.12478"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1007\/s00018-019-03376-y"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/psp.2013.15"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2007.03.014"},{"issue":"4","key":"ref6\/cit6","first-page":"1536","volume-title":"International Journal of Molecular Sciences","volume":"22","author":"Micheli P.","year":"2021"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/s41380-021-01241-8"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz1055"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1003554"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.biochi.2005.08.006"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.jneumeth.2013.05.008"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1186\/s12918-016-0365-1"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbac563"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(97)78146-3"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btl485"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1523\/JNEUROSCI.0730-15.2015"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.neuropharm.2008.07.049"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/msb.2013.1"},{"volume-title":"Principles of Pharmacology: The Pathophysiologic Basis of Drug Therapy","year":"2012","author":"Golan D. E.","key":"ref19\/cit19"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1002\/pst.62"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2017.02.002"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00485"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2020.06.022"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00999"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00230"},{"key":"ref26\/cit26","first-page":"87","volume-title":"Positioning and Power in Academic Publishing: Players, Agents and Agendas","author":"Kluyver T.","year":"2016"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkaa971"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.7b00650"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1039\/D3SC02352D"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00165","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c00165","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,12]],"date-time":"2025-05-12T08:11:29Z","timestamp":1747037489000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c00165"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,4,18]]},"references-count":30,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2025,5,12]]}},"alternative-id":["10.1021\/acs.jcim.5c00165"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c00165","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"type":"print","value":"1549-9596"},{"type":"electronic","value":"1549-960X"}],"subject":[],"published":{"date-parts":[[2025,4,18]]}}}