{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T06:54:21Z","timestamp":1782975261149,"version":"3.54.5"},"reference-count":47,"publisher":"Royal Society of Chemistry (RSC)","issue":"2","license":[{"start":{"date-parts":[[2026,12,8]],"date-time":"2026-12-08T00:00:00Z","timestamp":1796688000000},"content-version":"am","delay-in-days":341,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["23H03500"],"award-info":[{"award-number":["23H03500"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Our method visualizes how the electrostatic complementarity between the RBD and hACE2 changes during the evolution of SARS-CoV-2.<\/jats:p>","DOI":"10.1039\/d5cp03728j","type":"journal-article","created":{"date-parts":[[2025,12,8]],"date-time":"2025-12-08T14:07:07Z","timestamp":1765202827000},"page":"1325-1335","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Visualization of interfacial electrostatic complementarity reveals evolutionary changes in SARS-CoV-2 RBD\u2013hACE2 interactions"],"prefix":"10.1039","volume":"28","author":[{"given":"Yosuke","family":"Muroya","sequence":"first","affiliation":[{"name":"Department of Chemistry, Biotechnology, and Chemical Engineering, Graduate School of Science and Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima, Kagoshima 890-0065, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hiroki","family":"Ozono","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Biotechnology, and Chemical Engineering, Graduate School of Science and Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima, Kagoshima 890-0065, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3187-1381","authenticated-orcid":false,"given":"Takeshi","family":"Ishikawa","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Biotechnology, and Chemical Engineering, Graduate School of Science and Engineering, Kagoshima University, 1-21-40 Korimoto, Kagoshima, Kagoshima 890-0065, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"key":"D5CP03728J\/cit1\/1","unstructured":"WHO, WHO Coronavirus (COVID-19) Dashboard.  https:\/\/covid19.who.int\/ . Accessed Jun 10, 2025"},{"key":"D5CP03728J\/cit2\/1","unstructured":"NextStrain,  https:\/\/nextstrain.org\/"},{"key":"D5CP03728J\/cit3\/1","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1038\/s41586-020-2180-5","volume":"581","author":"Lan","year":"2020","journal-title":"Nature"},{"key":"D5CP03728J\/cit4\/1","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1038\/s41586-020-2179-y","volume":"581","author":"Shang","year":"2020","journal-title":"Nature"},{"key":"D5CP03728J\/cit5\/1","doi-asserted-by":"crossref","first-page":"4425","DOI":"10.1021\/acs.jcim.1c00560","volume":"61","author":"Jawad","year":"2021","journal-title":"J. Chem. Inf. Model."},{"key":"D5CP03728J\/cit6\/1","doi-asserted-by":"crossref","first-page":"035010","DOI":"10.1088\/2399-6528\/abea27","volume":"5","author":"Koirala","year":"2021","journal-title":"J. Phys. Commun."},{"key":"D5CP03728J\/cit7\/1","doi-asserted-by":"crossref","first-page":"4320","DOI":"10.1038\/s41598-021-83761-5","volume":"11","author":"Singh","year":"2021","journal-title":"Sci. Rep."},{"key":"D5CP03728J\/cit8\/1","doi-asserted-by":"crossref","first-page":"13063","DOI":"10.1038\/s41598-021-92388-5","volume":"11","author":"Piplani","year":"2021","journal-title":"Sci. Rep."},{"key":"D5CP03728J\/cit9\/1","doi-asserted-by":"crossref","first-page":"3409","DOI":"10.3390\/ijms23063409","volume":"23","author":"Kumar","year":"2022","journal-title":"Int. J. Mol. Sci."},{"issue":"11","key":"D5CP03728J\/cit10\/1","doi-asserted-by":"crossref","first-page":"2857","DOI":"10.1021\/acs.jcim.1c01544","volume":"62","author":"Neto","year":"2022","journal-title":"J. Chem. Inf. Model."},{"issue":"18","key":"D5CP03728J\/cit11\/1","doi-asserted-by":"crossref","first-page":"4512","DOI":"10.1021\/acs.jcim.2c00881","volume":"62","author":"Zhou","year":"2022","journal-title":"J. Chem. Inf. Model."},{"issue":"25","key":"D5CP03728J\/cit12\/1","doi-asserted-by":"crossref","first-page":"4669","DOI":"10.1021\/acs.jpcb.2c01048","volume":"126","author":"Nguyen","year":"2022","journal-title":"J. Phys. Chem. B"},{"issue":"4","key":"D5CP03728J\/cit13\/1","doi-asserted-by":"crossref","first-page":"e0266844","DOI":"10.1371\/journal.pone.0266844","volume":"17","author":"Shishir","year":"2022","journal-title":"PLoS One"},{"issue":"11","key":"D5CP03728J\/cit14\/1","doi-asserted-by":"crossref","first-page":"e0277745","DOI":"10.1371\/journal.pone.0277745","volume":"17","author":"Kodchakorn","year":"2022","journal-title":"PLoS One"},{"key":"D5CP03728J\/cit15\/1","doi-asserted-by":"crossref","first-page":"22639","DOI":"10.1038\/s41598-024-72842-w","volume":"14","author":"Moraes dos Santos","year":"2024","journal-title":"Sci. Rep."},{"issue":"3","key":"D5CP03728J\/cit16\/1","doi-asserted-by":"crossref","first-page":"274","DOI":"10.3390\/pathogens14030274","volume":"14","author":"Olivos-Ramirez","year":"2025","journal-title":"Pathogens"},{"issue":"2\u20134","key":"D5CP03728J\/cit17\/1","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1016\/S0009-2614(99)00937-9","volume":"312","author":"Kitaura","year":"1999","journal-title":"Chem. Phys. Lett."},{"issue":"30","key":"D5CP03728J\/cit18\/1","doi-asserted-by":"crossref","first-page":"6904","DOI":"10.1021\/jp0716740","volume":"111","author":"Fedorov","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"D5CP03728J\/cit19\/1","doi-asserted-by":"crossref","first-page":"10310","DOI":"10.1039\/C4CP00316K","volume":"16","author":"Tanaka","year":"2014","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP03728J\/cit20\/1","doi-asserted-by":"crossref","first-page":"16862","DOI":"10.1038\/s41598-020-73820-8","volume":"10","author":"Lim","year":"2020","journal-title":"Sci. Rep."},{"issue":"13","key":"D5CP03728J\/cit21\/1","doi-asserted-by":"crossref","first-page":"4633","DOI":"10.1039\/D0SC06528E","volume":"12","author":"Watanabe","year":"2021","journal-title":"Chem. Sci."},{"issue":"9","key":"D5CP03728J\/cit22\/1","doi-asserted-by":"crossref","first-page":"090901","DOI":"10.35848\/1347-4065\/ac1857","volume":"60","author":"Akisawa","year":"2021","journal-title":"Jpn. J. Appl. Phys."},{"key":"D5CP03728J\/cit23\/1","doi-asserted-by":"crossref","first-page":"3272","DOI":"10.1039\/D0RA09555A","volume":"11","author":"Akisawa","year":"2021","journal-title":"RSC Adv."},{"issue":"7","key":"D5CP03728J\/cit24\/1","doi-asserted-by":"crossref","first-page":"1771","DOI":"10.1021\/acs.jcim.2c00100","volume":"62","author":"Hwang","year":"2022","journal-title":"J. Chem. Inf. Model."},{"key":"D5CP03728J\/cit25\/1","doi-asserted-by":"crossref","first-page":"138103","DOI":"10.1016\/j.cplett.2020.138103","volume":"761","author":"Ishikawa","year":"2020","journal-title":"Chem. Phys. Lett."},{"issue":"9","key":"D5CP03728J\/cit26\/1","doi-asserted-by":"crossref","first-page":"5600","DOI":"10.1021\/acs.jctc.1c00475","volume":"17","author":"Ozono","year":"2021","journal-title":"J. Chem. Theory Comput."},{"issue":"46","key":"D5CP03728J\/cit27\/1","doi-asserted-by":"crossref","first-page":"11267","DOI":"10.1021\/acs.jpclett.1c02788","volume":"12","author":"Ishikawa","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"issue":"42","key":"D5CP03728J\/cit28\/1","doi-asserted-by":"crossref","first-page":"8415","DOI":"10.1021\/acs.jpcb.2c05033","volume":"126","author":"Ozono","year":"2022","journal-title":"J. Phys. Chem. B"},{"issue":"12","key":"D5CP03728J\/cit29\/1","doi-asserted-by":"crossref","first-page":"5164","DOI":"10.1021\/acs.jctc.4c00531","volume":"20","author":"Kousaka","year":"2024","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP03728J\/cit30\/1","doi-asserted-by":"crossref","first-page":"107650","DOI":"10.1016\/j.jmgm.2020.107650","volume":"100","author":"Tanaka","year":"2020","journal-title":"J. Mol. Graphics Modell."},{"issue":"8","key":"D5CP03728J\/cit31\/1","doi-asserted-by":"crossref","first-page":"e25535","DOI":"10.1002\/qua.25535","volume":"118","author":"Ishikawa","year":"2017","journal-title":"Int. J. Quantum Chem."},{"key":"D5CP03728J\/cit32\/1","doi-asserted-by":"crossref","first-page":"6103","DOI":"10.1038\/s41467-021-26401-w","volume":"12","author":"Han","year":"2021","journal-title":"Nat. Commun."},{"issue":"4","key":"D5CP03728J\/cit33\/1","first-page":"630","volume":"185","author":"Han","year":"2022","journal-title":"Nat. Commun."},{"issue":"8","key":"D5CP03728J\/cit34\/1","doi-asserted-by":"crossref","first-page":"e0024922","DOI":"10.1128\/jvi.00249-22","volume":"96","author":"Geng","year":"2022","journal-title":"J. Virol."},{"issue":"12","key":"D5CP03728J\/cit35\/1","doi-asserted-by":"crossref","first-page":"2116","DOI":"10.1016\/j.cell.2022.05.014","volume":"185","author":"Nutralai","year":"2022","journal-title":"Cell"},{"issue":"16","key":"D5CP03728J\/cit36\/1","doi-asserted-by":"crossref","first-page":"2952","DOI":"10.1016\/j.cell.2022.06.023","volume":"185","author":"Li","year":"2022","journal-title":"Cell"},{"issue":"21","key":"D5CP03728J\/cit37\/1","doi-asserted-by":"crossref","first-page":"3992","DOI":"10.1016\/j.cell.2022.09.018","volume":"185","author":"Kimura","year":"2022","journal-title":"Cell"},{"key":"D5CP03728J\/cit38\/1","doi-asserted-by":"crossref","first-page":"4405","DOI":"10.1038\/s41467-023-39942-z","volume":"14","author":"Zhao","year":"2023","journal-title":"Nat. Commun."},{"key":"D5CP03728J\/cit39\/1","doi-asserted-by":"crossref","first-page":"2671","DOI":"10.1038\/s41467-023-38188-z","volume":"14","author":"Ito","year":"2023","journal-title":"Nat. Commun."},{"issue":"8","key":"D5CP03728J\/cit40\/1","doi-asserted-by":"crossref","first-page":"e00249-22","DOI":"10.1128\/jvi.00822-23","volume":"97","author":"Zhang","year":"2023","journal-title":"J. Virol."},{"issue":"8","key":"D5CP03728J\/cit41\/1","doi-asserted-by":"crossref","first-page":"3696","DOI":"10.1021\/acs.jctc.5b00255","volume":"11","author":"Maier","year":"2015","journal-title":"J. Chem. Theory Comput."},{"issue":"1","key":"D5CP03728J\/cit43\/1","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/j.cplett.2009.04.045","volume":"474","author":"Ishikawa","year":"2009","journal-title":"Chem. Phys. Lett."},{"issue":"3","key":"D5CP03728J\/cit44\/1","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1021\/jz201697x","volume":"3","author":"Ishikawa","year":"2012","journal-title":"J. Phys. Chem. Lett."},{"key":"D5CP03728J\/cit45\/1","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning Jr.","year":"1989","journal-title":"J. Chem. Phys."},{"issue":"8","key":"D5CP03728J\/cit46\/1","doi-asserted-by":"crossref","first-page":"3175","DOI":"10.1063\/1.1445115","volume":"116","author":"Weigend","year":"2002","journal-title":"J. Chem. Phys."},{"issue":"16","key":"D5CP03728J\/cit47\/1","doi-asserted-by":"crossref","first-page":"2594","DOI":"10.1002\/jcc.21265","volume":"30","author":"Ishikawa","year":"2009","journal-title":"J. Comput. Chem."},{"issue":"5\u20136","key":"D5CP03728J\/cit49\/1","doi-asserted-by":"crossref","first-page":"475","DOI":"10.1016\/S0009-2614(01)01416-6","volume":"351","author":"Nakano","year":"2002","journal-title":"Chem. Phys. Lett."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2026\/CP\/D5CP03728J","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T05:22:58Z","timestamp":1782969778000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/28\/2\/1325-1335\/887523"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":47,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2026,1,14]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp03728j","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}