{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,18]],"date-time":"2026-01-18T13:00:46Z","timestamp":1768741246518,"version":"3.49.0"},"reference-count":80,"publisher":"American Chemical Society (ACS)","issue":"24","license":[{"start":{"date-parts":[[2022,7,27]],"date-time":"2022-07-27T00:00:00Z","timestamp":1658880000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,7,27]],"date-time":"2022-07-27T00:00:00Z","timestamp":1658880000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,7,27]],"date-time":"2022-07-27T00:00:00Z","timestamp":1658880000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","award":["810367"],"award-info":[{"award-number":["810367"]}],"id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Centre Informatique de l'Enseignement Sup?rieur","award":["x-2009-07509"],"award-info":[{"award-number":["x-2009-07509"]}]},{"name":"Centre R?gional Informatique et d'Applications Num?riques de Normandie","award":["19980853"],"award-info":[{"award-number":["19980853"]}]},{"name":"Institut du D?veloppement et des Ressources en Informatique"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2022,12,26]]},"DOI":"10.1021\/acs.jcim.2c00337","type":"journal-article","created":{"date-parts":[[2022,7,27]],"date-time":"2022-07-27T15:47:24Z","timestamp":1658936844000},"page":"6649-6666","source":"Crossref","is-referenced-by-count":7,"title":["Targeting the Major Groove of the Palindromic d(GGCGCC)<sub>2<\/sub> Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators"],"prefix":"10.1021","volume":"62","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4837-3888","authenticated-orcid":true,"given":"Krystel","family":"El Hage","sequence":"first","affiliation":[{"name":"SABNP, Univ Evry, INSERM U1204, Universit\u00e9 Paris-Saclay, 91000 Evry, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3679-5530","authenticated-orcid":true,"given":"Giovanni","family":"Ribaudo","sequence":"additional","affiliation":[{"name":"Dipartimento di Medicina Molecolare e Traslazionale, Universita degli Studi di Brescia, 25123 Brescia, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Louis","family":"Lagard\u00e8re","sequence":"additional","affiliation":[{"name":"LCT, UMR7616 CNRS, Sorbonne Universit\u00e9 Paris, 75005 Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alberto","family":"Ongaro","sequence":"additional","affiliation":[{"name":"Dipartimento di Medicina Molecolare e Traslazionale, Universita degli Studi di Brescia, 25123 Brescia, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Philippe H.","family":"Kahn","sequence":"additional","affiliation":[{"name":"CNRS, 75005 Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Luc","family":"Demange","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris Cit\u00e9, CiTCoM, UMR 8038 CNRS, 75006 Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6615-9426","authenticated-orcid":true,"given":"Jean-Philip","family":"Piquemal","sequence":"additional","affiliation":[{"name":"LCT, UMR7616 CNRS, Sorbonne Universit\u00e9 Paris, 75005 Paris, France"},{"name":"The University of Texas at Austin, Department of Biomedical Engineering, Austin, Texas 78705, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7053-4196","authenticated-orcid":true,"given":"Giuseppe","family":"Zagotto","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical and Pharmacological Sciences, University of Padova, Via Marzolo, 35131 Padova, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7174-2907","authenticated-orcid":true,"given":"Nohad","family":"Gresh","sequence":"additional","affiliation":[{"name":"LCT, UMR7616 CNRS, Sorbonne Universit\u00e9 Paris, 75005 Paris, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2022,7,27]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1093\/carcin\/9.11.2065"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1126\/science.2421408"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(98)90057-6"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/S0968-0896(01)00262-0"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/ja030125e"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1017\/S0033583500005552"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.96.6.2758"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.1990.10508552"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.1991.10507848"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201000106"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C9NJ03817E"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1023\/A:1008033219724"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/bi972964h"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/ejoc.200300311"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/bi00336a034"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.1985.10507626"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/14.9.3799"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/bi00292a024"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01169"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/C7SC04531J"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01164"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.86.14.5502"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(85)90303-4"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.90.13.6320"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1998.2208"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/24.3.441"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh685"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M111023200"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkx226"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1038\/312071a0"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.273.32.20603"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/j.1460-2075.1987.tb02655.x"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/0092-8674(87)90594-0"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.3390\/ijms21072477"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkv1089"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/j.gde.2021.01.001"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ct200304d"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01169"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/ct050190+"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.464304"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P"},{"key":"ref45\/cit45","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, revision A.02; Gaussian, Inc.: Wallingford, CT, 2009."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(95)00046-I"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M406053200"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1017\/S0033583500002341"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/cr000045i"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b01256"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/5.0055522"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp54374a"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jm050902g"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/bi00616a031"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1042\/bj2250829"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/16.3.1063"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/1439-7633(20021202)3:12<1235::AID-CBIC1235>3.0.CO;2-I"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/bi9705218"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1016\/0014-5793(84)80302-6"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/bi00341a042"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ja00211a038"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(01)00013-8"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/S0968-0896(00)00335-7"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/ja4057344"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC00145K"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23020228"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/jp0217839"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/bi00451a041"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/bi00451a042"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/ja00124a002"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/C5CC06116D"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/bi00061a015"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1016\/S0898-8838(08)60027-6"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2012.01.013"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201703890"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acs.inorgchem.7b01037"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/bc00014a002"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00337","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.2c00337","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,26]],"date-time":"2023-04-26T02:19:06Z","timestamp":1682475546000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.2c00337"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,7,27]]},"references-count":80,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2022,12,26]]}},"alternative-id":["10.1021\/acs.jcim.2c00337"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.2c00337","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,7,27]]}}}