{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:52:20Z","timestamp":1782118340994,"version":"3.54.5"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T00:00:00Z","timestamp":1780876800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T00:00:00Z","timestamp":1780876800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T00:00:00Z","timestamp":1780876800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100003395","name":"Shanghai Municipal Education Commission","doi-asserted-by":"publisher","award":["2024AI02010"],"award-info":[{"award-number":["2024AI02010"]}],"id":[{"id":"10.13039\/501100003395","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100018625","name":"Science and Technology Innovation Plan Of Shanghai Science and Technology Commission","doi-asserted-by":"publisher","award":["25JS2820100"],"award-info":[{"award-number":["25JS2820100"]}],"id":[{"id":"10.13039\/501100018625","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002367","name":"Chinese Academy of Sciences","doi-asserted-by":"publisher","award":["XDB0830000"],"award-info":[{"award-number":["XDB0830000"]}],"id":[{"id":"10.13039\/501100002367","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Lingang National Laboratory","award":["LGL-2615-10"],"award-info":[{"award-number":["LGL-2615-10"]}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China (NSFC)","doi-asserted-by":"crossref","award":["82273851"],"award-info":[{"award-number":["82273851"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China (NSFC)","doi-asserted-by":"crossref","award":["82322067"],"award-info":[{"award-number":["82322067"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,6,22]]},"DOI":"10.1021\/acs.jcim.6c00599","type":"journal-article","created":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T08:53:28Z","timestamp":1780908808000},"page":"7124-7137","source":"Crossref","is-referenced-by-count":0,"title":["The Systematic Study of Spatially Conserved Salt Bridges in Protein"],"prefix":"10.1021","volume":"66","author":[{"given":"Ziyu","family":"Peng","sequence":"first","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhaoyin","family":"Zhou","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gao","family":"Xiangxu","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dannan","family":"Yan","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mei","family":"Shao","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3041-643X","authenticated-orcid":true,"given":"Qian","family":"Zhang","sequence":"additional","affiliation":[{"name":"School of Computer Science and Technology, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses","place":["Shanghai, China"]},{"name":"East China Normal University","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Weiliang","family":"Zhu","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3063-8473","authenticated-orcid":true,"given":"Zhijian","family":"Xu","sequence":"additional","affiliation":[{"name":"School of Chinese Materia Medica","place":["Nanjing, China"]},{"name":"Nanjing University of Chinese Medicine","place":["Nanjing, China"]},{"name":"State Key Laboratory of Drug Research; Drug Discovery and Design Center","place":["Shanghai, China"]},{"name":"Shanghai Institute of Materia Medica, Chinese Academy of Sciences","place":["Shanghai, China"]},{"name":"Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, Shanghai Key Laboratory of New Drug Design, State Key Laboratory of Bioreactor Engineering, School of Pharmacy","place":["Shanghai, China"]},{"name":"East China University of Science and Technology","place":["Shanghai, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1126\/science.7761829"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/1439-7633(20020703)3:7<604::AID-CBIC604>3.0.CO;2-X"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.3656"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1002\/jmr.657"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22927"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(03)00233-X"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2019.06.022"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/j.1460-2075.1986.tb04288.x"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M113.524546"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.3390\/biomedinformatics4010007"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1093\/bib\/bbad358"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-018-0138-4"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkt1242"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz1064"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/pro.4482"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(83)80079-5"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1038\/s41597-024-03327-8"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1101\/2021.07.09.450648"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1126\/science.adg7492"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1080\/01621459.1952.10483441"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1080\/00401706.1964.10490181"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.11613\/BM.2026.010101"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.11144\/Javeriana.upsy10-2.cdcp"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.japh.2016.03.010"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201800344"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M113.473348"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00591"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.3390\/ijms25126698"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5c01590"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbc.2022.102247"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2009.10.017"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360221211"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.9b00332"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1995.0206"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00599","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00599","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:37:47Z","timestamp":1782117467000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00599"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,8]]},"references-count":34,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,6,22]]}},"alternative-id":["10.1021\/acs.jcim.6c00599"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00599","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,8]]}}}