{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T18:41:11Z","timestamp":1782931271999,"version":"3.54.5"},"reference-count":38,"publisher":"Informa UK Limited","license":[{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["DDDT"],"DOI":"10.2147\/dddt.s537065","type":"journal-article","created":{"date-parts":[[2025,8,15]],"date-time":"2025-08-15T05:10:15Z","timestamp":1755234615000},"page":"7045-7058","source":"Crossref","is-referenced-by-count":4,"title":["Benchmarking the Structure-Based Virtual Screening Performance of Wild-Type and Resistant PfDHFR Using Docking and Machine Learning Re-Scoring"],"prefix":"10.2147","volume":"Volume 19","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2354-7725","authenticated-orcid":true,"given":"Menna","family":"Hany","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nermin","family":"Ahmed","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8738-6716","authenticated-orcid":true,"given":"Frank","family":"Boeckler","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1016-8950","authenticated-orcid":true,"given":"Tamer","family":"Ibrahim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2025,8]]},"reference":[{"key":"ref1","doi-asserted-by":"publisher","first-page":"101073","DOI":"10.1016\/j.lanmic.2025.101073","volume":"6","author":"Venkatesan","year":"2025","journal-title":"Lancet Microbe"},{"key":"ref2","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1186\/s40101-021-00254-0","volume":"40","author":"Sato","year":"2021","journal-title":"J Physiol Anthropol"},{"key":"ref3","doi-asserted-by":"publisher","first-page":"1140","DOI":"10.3390\/molecules24061140","volume":"24","author":"Raimondi","year":"2019","journal-title":"Molecules"},{"key":"ref4","doi-asserted-by":"publisher","first-page":"357","DOI":"10.1038\/nsb921","volume":"10","author":"Yuvaniyama","year":"2003","journal-title":"Nat Struct Biol"},{"key":"ref5","doi-asserted-by":"publisher","first-page":"115158","DOI":"10.1016\/j.bmc.2019.115158","volume":"27","author":"Saepua","year":"2019","journal-title":"Bioorg Med Chem"},{"key":"ref6","doi-asserted-by":"publisher","first-page":"3928","DOI":"10.1128\/aac.00301-12","volume":"56","author":"Vanichtanankul","year":"2012","journal-title":"Antimicrob Agents Chemother"},{"key":"ref7","doi-asserted-by":"publisher","first-page":"1447","DOI":"10.1021\/ci400115b","volume":"53","author":"Bauer","year":"2013","journal-title":"J Chem Inf Model"},{"key":"ref8","doi-asserted-by":"publisher","first-page":"21","DOI":"10.1186\/s13321-015-0074-6","volume":"7","author":"Ibrahim","year":"2015","journal-title":"J Cheminform"},{"key":"ref9","doi-asserted-by":"publisher","first-page":"2650","DOI":"10.1021\/ci2001549","volume":"51","author":"Vogel","year":"2011","journal-title":"J Chem Inf Model"},{"key":"ref10","doi-asserted-by":"publisher","first-page":"e0318712","DOI":"10.1371\/journal.pone.0318712","volume":"20","author":"Galal","year":"2025","journal-title":"PLoS One"},{"key":"ref11","doi-asserted-by":"crossref","first-page":"1296","DOI":"10.3390\/molecules28031296","volume":"28","author":"Hassan","year":"2023","journal-title":"Molecules"},{"key":"ref12","doi-asserted-by":"publisher","first-page":"104468","DOI":"10.1016\/j.compbiomed.2021.104468","volume":"134","author":"Elghoneimy","year":"2021","journal-title":"Comput Biol Med"},{"key":"ref13","doi-asserted-by":"publisher","first-page":"592289","DOI":"10.3389\/fchem.2020.592289","volume":"8","author":"Ibrahim","year":"2020","journal-title":"Front Chem"},{"key":"ref14","doi-asserted-by":"publisher","first-page":"1169","DOI":"10.1093\/bioinformatics\/btq112","volume":"26","author":"Ballester","year":"2010","journal-title":"Bioinformatics"},{"key":"ref15","doi-asserted-by":"publisher","first-page":"bbaa095","DOI":"10.1093\/bib\/bbaa095","volume":"22","author":"Fresnais","year":"2021","journal-title":"Brief Bioinform"},{"key":"ref16","doi-asserted-by":"publisher","first-page":"46710","DOI":"10.1038\/srep46710","volume":"7","author":"Wojcikowski","year":"2017","journal-title":"Sci Rep"},{"key":"ref17","doi-asserted-by":"publisher","first-page":"e75992","DOI":"10.1371\/journal.pone.0075992","volume":"8","author":"Coleman","year":"2013","journal-title":"PLoS One"},{"key":"ref18","doi-asserted-by":"publisher","first-page":"942","DOI":"10.1021\/acs.jcim.6b00740","volume":"57","author":"Ragoza","year":"2017","journal-title":"J Chem Inf Model"},{"key":"ref19","doi-asserted-by":"publisher","first-page":"1893","DOI":"10.1021\/ci300604z","volume":"53","author":"Koes","year":"2013","journal-title":"J Chem Inf Model"},{"key":"ref20","doi-asserted-by":"publisher","first-page":"164","DOI":"10.1007\/s44371-025-00246-4","volume":"2","author":"Zayed","year":"2025","journal-title":"Discov Chem"},{"key":"ref21","doi-asserted-by":"publisher","first-page":"3891","DOI":"10.1021\/acs.jcim.1c00203","volume":"61","author":"Eberhardt","year":"2021","journal-title":"J Chem Inf Model"},{"key":"ref22","doi-asserted-by":"publisher","first-page":"578","DOI":"10.1021\/ci100436p","volume":"51","author":"McGann","year":"2011","journal-title":"J Chem Inf Model"},{"key":"ref23","volume-title":"International Workshop on Ant Colony Optimization and Swarm Intelligence","year":"2006"},{"key":"ref24","doi-asserted-by":"publisher","first-page":"572","DOI":"10.1021\/ci100031x","volume":"50","author":"Hawkins","year":"2010","journal-title":"J Chem Inf Model"},{"key":"ref25","doi-asserted-by":"publisher","first-page":"897","DOI":"10.1007\/s10822-012-9584-8","volume":"26","author":"McGann","year":"2012","journal-title":"J Comput Aided Mol Des"},{"key":"ref26","doi-asserted-by":"publisher","first-page":"33","DOI":"10.1186\/1758-2946-3-33","volume":"3","author":"O\u2019Boyle","year":"2011","journal-title":"J Cheminform"},{"key":"ref27","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"Trott","year":"2010","journal-title":"J Comput Chem"},{"key":"ref28","doi-asserted-by":"publisher","first-page":"84","DOI":"10.1021\/ci800298z","volume":"49","author":"Korb","year":"2009","journal-title":"J Chem Inf Model"},{"key":"ref29","doi-asserted-by":"publisher","first-page":"1535","DOI":"10.1021\/ci800420z","volume":"49","author":"ten Brink","year":"2009","journal-title":"J Chem Inf Model"},{"key":"ref30","first-page":"57","volume":"17","author":"Sanner","year":"1999","journal-title":"J Mol Graph Model"},{"key":"ref31","doi-asserted-by":"publisher","first-page":"2297","DOI":"10.1021\/acs.jcim.5b00475","volume":"55","author":"Ibrahim","year":"2015","journal-title":"J Chem Inf Model"},{"key":"ref32","doi-asserted-by":"publisher","first-page":"141","DOI":"10.1007\/s10822-008-9181-z","volume":"22","author":"Clark","year":"2008","journal-title":"J Comput Aided Mol Des"},{"key":"ref33","doi-asserted-by":"publisher","first-page":"3460","DOI":"10.1038\/s41596-023-00885-w","volume":"18","author":"Tran-Nguyen","year":"2023","journal-title":"Nat Protoc"},{"key":"ref34","doi-asserted-by":"publisher","first-page":"6582","DOI":"10.1021\/jm300687e","volume":"55","author":"Mysinger","year":"2012","journal-title":"J Med Chem"},{"key":"ref35","doi-asserted-by":"publisher","first-page":"43","DOI":"10.1186\/s13321-021-00522-2","volume":"13","author":"McNutt","year":"2021","journal-title":"J Cheminform"},{"key":"ref36","doi-asserted-by":"publisher","first-page":"460","DOI":"10.1021\/ci500588j","volume":"55","author":"Sander","year":"2015","journal-title":"J Chem Inf Model"},{"key":"ref37","doi-asserted-by":"publisher","first-page":"6659","DOI":"10.1007\/s11033-022-07266-8","volume":"49","author":"Shamshad","year":"2022","journal-title":"Mol Biol Rep"},{"key":"ref38","doi-asserted-by":"publisher","first-page":"1235","DOI":"10.1021\/acsmedchemlett.8b00389","volume":"9","author":"Tarnchompoo","year":"2018","journal-title":"ACS Med Chem Lett"}],"container-title":["Drug Design, Development and Therapy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.dovepress.com\/article\/download\/105836","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.dovepress.com\/article\/download\/105836","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,8,15]],"date-time":"2025-08-15T05:10:16Z","timestamp":1755234616000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.dovepress.com\/benchmarking-the-structure-based-virtual-screening-performance-of-wild-peer-reviewed-fulltext-article-DDDT"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,8]]},"references-count":38,"URL":"https:\/\/doi.org\/10.2147\/dddt.s537065","relation":{},"ISSN":["1177-8881"],"issn-type":[{"value":"1177-8881","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,8]]}}}