{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T00:42:27Z","timestamp":1791333747149,"version":"4.3.1"},"reference-count":45,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T00:00:00Z","timestamp":1779494400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T00:00:00Z","timestamp":1779494400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T00:00:00Z","timestamp":1779494400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"name":"PPS Allowances Health~Holland, Top Sector Life Sciences & Health","award":["LSH 20-2551"],"award-info":[{"award-number":["LSH 20-2551"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,6,8]]},"DOI":"10.1021\/acs.jcim.5c02774","type":"journal-article","created":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T16:52:34Z","timestamp":1779555154000},"page":"6565-6575","source":"Crossref","is-referenced-by-count":1,"title":["Molecular Modeling of Protein\u2013Peptide Complexes Mimicking Factor Xa\u2013Prothrombin Using AlphaFold-Multimer and Molecular Dynamics Simulations for Functional Prediction"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1042-7211","authenticated-orcid":true,"given":"Dejvid","family":"Veizaj","sequence":"first","affiliation":[{"name":"Department of Internal Medicine, Division of Thrombosis and Hemostasis, Einthoven Laboratory for Vascular and Regenerative Medicine","place":["Leiden, The Netherlands"]},{"name":"Leiden University Medical Center","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5065-4112","authenticated-orcid":true,"suffix":"III","given":"David A.","family":"Poole","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS)","place":["Amsterdam, The Netherlands"]},{"name":"Vrije Universiteit","place":["Amsterdam, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ka Lei","family":"Cheung","sequence":"additional","affiliation":[{"name":"Department of Internal Medicine, Division of Thrombosis and Hemostasis, Einthoven Laboratory for Vascular and Regenerative Medicine","place":["Leiden, The Netherlands"]},{"name":"Leiden University Medical Center","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jos V.","family":"Flier","sequence":"additional","affiliation":[{"name":"Department of Internal Medicine, Division of Thrombosis and Hemostasis, Einthoven Laboratory for Vascular and Regenerative Medicine","place":["Leiden, The Netherlands"]},{"name":"Leiden University Medical Center","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Pieter H.","family":"Reitsma","sequence":"additional","affiliation":[{"name":"VarmX B.V.","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dani\u00ebl","family":"Verhoef","sequence":"additional","affiliation":[{"name":"VarmX B.V.","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daan P.","family":"Geerke","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Pharmaceutical Sciences, Amsterdam Institute of Molecular and Life Sciences (AIMMS)","place":["Amsterdam, The Netherlands"]},{"name":"Vrije Universiteit","place":["Amsterdam, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8164-817X","authenticated-orcid":true,"given":"Mettine H.A.","family":"Bos","sequence":"additional","affiliation":[{"name":"Department of Internal Medicine, Division of Thrombosis and Hemostasis, Einthoven Laboratory for Vascular and Regenerative Medicine","place":["Leiden, The Netherlands"]},{"name":"Leiden University Medical Center","place":["Leiden, The Netherlands"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,5,23]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1126\/science.adg7492"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1016\/j.biotechadv.2025.108602"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1126\/science.ado5068"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2022.12.039"},{"key":"ref5\/cit5","first-page":"2017","volume-title":"Williams Hematology","author":"Bos M. H. A. v. t. V. C.","year":"2021","edition":"10"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/cr000033x"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2016.05.039"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/j.1460-2075.1989.tb08511.x"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1111\/jth.12217"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(18)47005-6"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1182\/blood.2022015807"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1098\/rsob.240193"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/jm070245n"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-022-01488-1"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c01153"},{"key":"ref17\/cit17","volume-title":"Amber 2024","author":"Case D. A.","year":"2024"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1063\/1.5027379"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.jtha.2024.04.022"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1101\/2021.10.04.463034"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560040301"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.271.47.29988"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1002\/chem.202203473"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1159\/000214244"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbc.2021.100955"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1002\/humu.20214"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1055\/a-1704-0841"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1097\/MBC.0000000000000787"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1182\/blood-2017-02-765206"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1055\/s-0037-1615695"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1111\/jth.14627"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.95.12.6630"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M203692200"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/bi800319r"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1111\/j.1432-1033.1996.477rr.x"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1111\/jth.15624"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1517\/17460441.2015.1032936"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1038\/nchembio.1817"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/humu.23800"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-021-02826-3"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2013.07.014"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1038\/s41594-021-00714-2"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c02774","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5c02774","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T08:11:20Z","timestamp":1780906280000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5c02774"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,5,23]]},"references-count":45,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2026,6,8]]}},"alternative-id":["10.1021\/acs.jcim.5c02774"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5c02774","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,5,23]]}}}