{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T17:36:58Z","timestamp":1772127418214,"version":"3.50.1"},"reference-count":68,"publisher":"American Chemical Society (ACS)","issue":"16","license":[{"start":{"date-parts":[[2023,8,14]],"date-time":"2023-08-14T00:00:00Z","timestamp":1691971200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,8,14]],"date-time":"2023-08-14T00:00:00Z","timestamp":1691971200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,8,14]],"date-time":"2023-08-14T00:00:00Z","timestamp":1691971200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100006072","name":"Commissariat G?n?ral ? l'Investissement","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100006072","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100017129","name":"Laboratoire d'Excellence SEAM","doi-asserted-by":"publisher","award":["ANR 11 IDEX 05 02"],"award-info":[{"award-number":["ANR 11 IDEX 05 02"]}],"id":[{"id":"10.13039\/100017129","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100017129","name":"Laboratoire d'Excellence SEAM","doi-asserted-by":"publisher","award":["ANR 11 LABX 086"],"award-info":[{"award-number":["ANR 11 LABX 086"]}],"id":[{"id":"10.13039\/100017129","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100010190","name":"Grand ?quipement National De Calcul Intensif","doi-asserted-by":"publisher","award":["2022-A0130713773"],"award-info":[{"award-number":["2022-A0130713773"]}],"id":[{"id":"10.13039\/501100010190","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2023,8,28]]},"DOI":"10.1021\/acs.jcim.3c00569","type":"journal-article","created":{"date-parts":[[2023,8,14]],"date-time":"2023-08-14T15:18:26Z","timestamp":1692026306000},"page":"5220-5231","source":"Crossref","is-referenced-by-count":1,"title":["DockSurf: A Molecular Modeling Software for the Prediction of Protein\/Surface Adhesion"],"prefix":"10.1021","volume":"63","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6082-3194","authenticated-orcid":true,"given":"Florent","family":"Barbault","sequence":"first","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CNRS, ITODYS, F-75013 Paris, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8646-9365","authenticated-orcid":true,"given":"Eric","family":"Br\u00e9mond","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CNRS, ITODYS, F-75013 Paris, France"}]},{"given":"Julien","family":"Rey","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CNRS UMR 8251, INSERM U1133, RPBS, 75205 Paris, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1033-9895","authenticated-orcid":true,"given":"Pierre","family":"Tuff\u00e9ry","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CNRS UMR 8251, INSERM U1133, RPBS, 75205 Paris, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4768-1902","authenticated-orcid":true,"given":"Fran\u00e7ois","family":"Maurel","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CNRS, ITODYS, F-75013 Paris, France"}]}],"member":"316","published-online":{"date-parts":[[2023,8,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1017\/S0033583515000256"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/332119a0"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.surfcoat.2013.04.028"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/nn800072t"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1126\/science.1114397"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.bios.2018.04.051"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/S1369-7021(05)71079-8"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ja0522534"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.bios.2019.111978"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C5RA16237H"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/jbm.a.34416"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1038\/s41578-021-00350-8"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2020.08.008"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.3390\/ijms23031484"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1038\/nnano.2010.182"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2017.07.006"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.1c01994"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/la3038846"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/jp801931d"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/la904765u"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s13758-012-0024-z"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1007\/s13758-012-0056-4"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/la904415d"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24861"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.3390\/catal8050192"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.1c01774"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsusc.2012.05.013"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp200145m"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/jp5020077"},{"key":"ref30\/cit30","volume-title":"Molecular Modelling: Principles and Applications","author":"Leach A. R.","year":"2001"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemolab.2005.05.014"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2007.10.022"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2009.11.040"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.08.035"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbagen.2019.02.011"},{"key":"ref36\/cit36","volume-title":"Gaussian 16 Rev. C.01","author":"Frisch M. J.","year":"2016"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref38\/cit38","unstructured":"Case, D. A.; Belfon, K.; Ben-Shalom, I. Y.; Brozell, S. R.; Cerutti, D. S.; Cheatham, III, T. E.; Cruzeiro, V. W. D.; Darden, T. A.; Duke, R. E.; Giambasu, G.; Gilson, M. K.; Gohlke, H.; Goetz, A. W.; Harris, R.; Izadi, S.; Izmailov, S. A.; Kasavajhala, K.; Kovalenko, A.; Krasny, R.; Kurtzman, T.; Lee, T. S.; LeGrand, S.; Li, P.; Lin, C.; Liu, J.; Luchko, T.; Luo, R.; Man, V.; Merz, K. M.; Miao, Y.; Mikhailovskii, O.; Monard, G.; Nguyen, H.; Onufriev, A.; Pan, F.; Pantano, S.; Qi, R.; Roe, D. R.; Roitberg, A.; Sagui, C.; Schott-Verdugo, S.; Shen, J.; Simmerling, C. L.; Skrynnikov, N. R.; Smith, J.; Swails, J.; Walker, R. C.; Wang, J.; Wilson, L.; Wolf, R. M.; Wu, X.; Xiong, Y.; Xue, Y.; York, D. M.; Kollman, P. A.\n                      Amber 20\n                      , 2020."},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/ar000033j"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"ref45\/cit45","unstructured":"Williams, T.; Kelley, C. Gnuplot: an interactive plotting program. http:\/\/gnuplot.info\/ (accessed 2022-07-25)."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki477"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btp493"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2006.02.002"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9797(77)90151-5"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.6b12544"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c05341"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2018.10.046"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ci100275a"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00055"},{"key":"ref57\/cit57","unstructured":"PV - JavaScript\nProtein Viewer.  (accessed 2023-04-04)."},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/bty419"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1039\/C7NR08322J"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0295-96"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.2147\/IJN.S210992"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/bi972359e"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/la904765u"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1006\/bbrc.2002.6540"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/S0969-2126(00)00072-1"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1007\/s00216-011-5662-3"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/elan.200804561"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1155\/2016\/9718612"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00569","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c00569","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,28]],"date-time":"2023-08-28T04:35:38Z","timestamp":1693197338000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c00569"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,8,14]]},"references-count":68,"journal-issue":{"issue":"16","published-print":{"date-parts":[[2023,8,28]]}},"alternative-id":["10.1021\/acs.jcim.3c00569"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c00569","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2023-5jml9","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,8,14]]}}}