{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T00:42:35Z","timestamp":1790642555720,"version":"4.1.0"},"reference-count":73,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2020,2,5]],"date-time":"2020-02-05T00:00:00Z","timestamp":1580860800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,2,5]],"date-time":"2020-02-05T00:00:00Z","timestamp":1580860800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,2,5]],"date-time":"2020-02-05T00:00:00Z","timestamp":1580860800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["1R35GM119647"],"award-info":[{"award-number":["1R35GM119647"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2020,3,10]]},"DOI":"10.1021\/acs.jctc.9b00868","type":"journal-article","created":{"date-parts":[[2020,2,5]],"date-time":"2020-02-05T15:10:01Z","timestamp":1580915401000},"page":"1806-1815","source":"Crossref","is-referenced-by-count":27,"title":["Lipopolysaccharide Simulations Are Sensitive to Phosphate Charge and Ion Parameterization"],"prefix":"10.1021","volume":"16","author":[{"given":"Amy","family":"Rice","sequence":"first","affiliation":[{"name":"Department of Physics and Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, Chicago, Illinois 60616, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mary T.","family":"Rooney","sequence":"additional","affiliation":[{"name":"Department of Applied Science, College of William and Mary, Williamsburg, Virginia 23185, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander I.","family":"Greenwood","sequence":"additional","affiliation":[{"name":"Department of Applied Science, College of William and Mary, Williamsburg, Virginia 23185, United States"},{"name":"Department of Physics, College of William and Mary, Williamsburg, Virginia 23185, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6732-1736","authenticated-orcid":true,"given":"Myriam L.","family":"Cotten","sequence":"additional","affiliation":[{"name":"Department of Applied Science, College of William and Mary, Williamsburg, Virginia 23185, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2218-3827","authenticated-orcid":true,"given":"Jeff","family":"Wereszczynski","sequence":"additional","affiliation":[{"name":"Department of Physics and Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, Chicago, Illinois 60616, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,2,5]]},"reference":[{"key":"ref1\/cit1","volume-title":"Antimicrobial resistance: global report on surveillance, 2014","author":"World Health Organization","year":"2014"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbapap.2008.11.005"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nrmicro3380"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1128\/mBio.01541-16"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1128\/MMBR.67.4.593-656.2003"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1039\/C3CC46918B"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jp8027963"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/C3CC46918B"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.biochem.76.010307.145803"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/nrmicro1068"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/nrmicro3047"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(00)81003-X"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-017-15445-y"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1128\/JB.180.9.2409-2417.1998"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.molcel.2007.03.008"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1717272114"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.cell.2005.05.030"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acsinfecdis.9b00066"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2018.02.006"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/bi990867d"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2011.03.019"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2019.02.020"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ct300534j"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ct300084v"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2013.08.002"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24895"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP04278K"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25823"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2015.06.050"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2016.08.033"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.01.003"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.7b00473"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1722530115"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2016.09.001"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b07122"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2015.12.002"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/bi00068a014"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.466711"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/jz201501a"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/jp101759q"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/jz200167q"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/jp401512z"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1002\/qua.22372"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20290"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref52\/cit52","unstructured":"Case, D.; Cerutti, D.; T.E. Cheatham, I.; Darden, T.; Duke, R.; Giese, T.; Gohlke, H.; Goetz, A.; Greene, D.; Homeyer, N.; Izadi, S.; Kovalenko, A.; Lee, T.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Mermelstein, D.; Merz, K.; Monard, G.; Nguyen, H.; I. Omelyan, A. O.; Pan, F.; Qi, R.; Roe, D.; Roitberg, A.; Sagui, C.; Simmerling, C.; Botello-Smith, W.; Swails, J.; Walker, R.; Wang, J.; Wolf, R.; Wu, X.; Xiao, L.; York, D.; Kollman, P.\n                      AMBER17\n                      , 2017; University of California: San Francisco."},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref54\/cit54","first-page":"2332","volume-title":"Conference of the IEEE Engineering in Medicine and Biology Society 2009","volume":"2009","author":"Romo T. D."},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.2978177"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/ct300242f"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.103.037507"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.013573"},{"key":"ref59\/cit59","volume-title":"Handbook of Biochemistry: Selected Data for Molecular Biology","author":"Sober H. A.","year":"1970","edition":"2"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1006\/jmre.1999.1896"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/S1090-7807(03)00082-X"},{"key":"ref62\/cit62","volume-title":"Biochemistry of Lipids, Lipoproteins and Membranes","author":"Cullis P.","year":"1996"},{"key":"ref63\/cit63","doi-asserted-by":"crossref","DOI":"10.1097\/00010694-195208000-00017","volume-title":"Phosphorus metabolism","author":"McElroy W. D.","year":"1952"},{"key":"ref64\/cit64","volume-title":"Phosphorus and its compounds","author":"Van Wazer J. R.","year":"1958"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2364(91)90248-R"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2018.09.020"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1803975115"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.43.6.1317"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.97.16.8856"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2091-7-15"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00967"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.7b10730"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1109\/MCSE.2014.80"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.9b00868","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T06:54:30Z","timestamp":1681628070000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.9b00868"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,2,5]]},"references-count":73,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2020,3,10]]}},"alternative-id":["10.1021\/acs.jctc.9b00868"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.9b00868","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/752188","asserted-by":"object"}]},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,2,5]]}}}