{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T08:51:31Z","timestamp":1782982291933,"version":"3.54.5"},"reference-count":21,"publisher":"American Chemical Society (ACS)","issue":"2","license":[{"start":{"date-parts":[[2026,1,12]],"date-time":"2026-01-12T00:00:00Z","timestamp":1768176000000},"content-version":"vor","delay-in-days":366,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2023YFC2706400"],"award-info":[{"award-number":["2023YFC2706400"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100019643","name":"State Key Laboratory of Radiation Medicine and Protection","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100019643","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22106114"],"award-info":[{"award-number":["22106114"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22176137"],"award-info":[{"award-number":["22176137"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["62076218"],"award-info":[{"award-number":["62076218"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012246","name":"Priority Academic Program Development of Jiangsu Higher Education Institutions","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100012246","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2025,1,27]]},"DOI":"10.1021\/acs.jcim.4c01639","type":"journal-article","created":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T09:24:22Z","timestamp":1736587462000},"page":"778-784","source":"Crossref","is-referenced-by-count":8,"title":["PACKMOL-GUI: An All-In-One VMD Interface for Efficient Molecular Packing"],"prefix":"10.1021","volume":"65","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1955-4316","authenticated-orcid":true,"given":"Jian","family":"Huang","sequence":"first","affiliation":[{"name":"Sino-Finland Joint AI Laboratory for Child Health of Zhejiang Province","place":["Hangzhou, China"]},{"name":"National Clinical Research Center for Child Health, National Children\u2019s Regional Medical Center","place":["Hangzhou, China"]},{"name":"Zhejiang University School of Medicine , Children\u2019s Hospital","place":["Hangzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chenchen","family":"Wu","sequence":"additional","affiliation":[{"name":"Department of Radiation Oncology","place":["Suzhou, China"]},{"name":"The First Affiliated Hospital of Soochow University","place":["Suzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiner","family":"Yang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions","place":["Suzhou, China"]},{"name":"Soochow University","place":["Suzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3521-6867","authenticated-orcid":true,"given":"Zaixing","family":"Yang","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions","place":["Suzhou, China"]},{"name":"Soochow University","place":["Suzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9632-9377","authenticated-orcid":true,"given":"Shengtang","family":"Liu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions","place":["Suzhou, China"]},{"name":"Soochow University","place":["Suzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9935-9969","authenticated-orcid":true,"given":"Gang","family":"Yu","sequence":"additional","affiliation":[{"name":"Sino-Finland Joint AI Laboratory for Child Health of Zhejiang Province","place":["Hangzhou, China"]},{"name":"National Clinical Research Center for Child Health, National Children\u2019s Regional Medical Center","place":["Hangzhou, China"]},{"name":"Zhejiang University School of Medicine , Children\u2019s Hospital","place":["Hangzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,1,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10216"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21224"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00740"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2022.2126865"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00658"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.6b00103"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21581"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00739"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btv411"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00754"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/cm502594j"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1107\/S1600576722004988"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-19374-9"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20945"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00935"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23702"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0000880"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21287"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/c3dt50599e"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-3-33"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01639","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.4c01639","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,1,16]],"date-time":"2026-01-16T12:16:52Z","timestamp":1768565812000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.4c01639"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,11]]},"references-count":21,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2025,1,27]]}},"alternative-id":["10.1021\/acs.jcim.4c01639"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.4c01639","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,11]]}}}