{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,19]],"date-time":"2026-10-19T10:29:22Z","timestamp":1792405762104,"version":"4.4.0"},"reference-count":58,"publisher":"Informa UK Limited","issue":"1","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2025,1,2]]},"DOI":"10.1080\/07391102.2023.2279700","type":"journal-article","created":{"date-parts":[[2023,11,9]],"date-time":"2023-11-09T13:24:41Z","timestamp":1699536281000},"page":"92-107","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":7,"title":["Artificial intelligence based de-novo design for novel\n            <i>Plasmodium falciparum<\/i>\n            plasmepsin (PM) X inhibitors"],"prefix":"10.1080","volume":"43","author":[{"given":"Ssemuyiga","family":"Charles","sequence":"first","affiliation":[{"name":"School of Biotechnology, KIIT Deemed to be University","place":["Bhubaneswar, Odisha, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rajani Kanta","family":"Mahapatra","sequence":"additional","affiliation":[{"name":"School of Biotechnology, KIIT Deemed to be University","place":["Bhubaneswar, Odisha, India"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2023,11,9]]},"reference":[{"key":"e_1_3_3_2_1","unstructured":"Aissaoui H. Clozel M. Weller T. Koberstein R. Sifferlen R. & Fischli W. (2007). Sulfonylamino-acetic acid derivatives Authors 143."},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.022630099"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.5281\/ZENODO.6451567"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/NCHEM.1243"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.1002\/CMDC.200600223"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.2174\/0929867033457674"},{"key":"e_1_3_3_8_1","unstructured":"Caldarelli F. Ceriani L. & Candiani I. (2001). Process for preparing distamycin derivatives 7."},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1021\/ACS.JCIM.6B00465\/ASSET\/IMAGES\/MEDIUM\/CI-2016-004655_0009.GIF"},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2023.2188419"},{"key":"e_1_3_3_11_1","unstructured":"Chemical Computing Group (CCG). (2023). Research. https:\/\/www.chemcomp.com\/Research-Citing_MOE.htm"},{"key":"e_1_3_3_12_1","unstructured":"Chiral auxiliaries and uses thereof. (2018)."},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1093\/NAR\/GKQ322"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-1-8\/TABLES\/1"},{"key":"e_1_3_3_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chom.2020.02.005"},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.470648"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.1128\/mBio.03078-19"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1002\/J.1460-2075.1994.TB06263.X"},{"key":"e_1_3_3_19_1","unstructured":"Germain M. Gregor K. Murray I. & Larochelle H. (2015). MADE: Masked autoencoder for distribution estimation. PMLR (pp. 881\u2013889). https:\/\/proceedings.mlr.press\/v37\/germain15.html"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.5555\/3305381.3305512"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1002\/PROT.340040104"},{"key":"e_1_3_3_22_1","unstructured":"Gumbart J. H\u00e9nin J. & Chipot C. (2023). In silico alchemy: A tutorial for alchemical free-energy perturbation calculations with NAMD. www.ks.uiuc.edu\/Training\/Tutorials\/"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.1371\/JOURNAL.PPAT.0010029"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1109\/CVPR.2017.243"},{"key":"e_1_3_3_25_1","volume-title":"Saving lives, buying time: Economics of malaria drugs in an age of resistance","author":"Institute of Medicine (US) Committee on the Economics of Antimalarial Drugs","year":"2004","unstructured":"Institute of Medicine (US) Committee on the Economics of Antimalarial Drugs, Arrow, K. J., Panosian, C., & Gelband, H. (Eds.). (2004). Saving lives, buying time: Economics of malaria drugs in an age of resistance. National Academies Press."},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct1001768"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/CI800298Z"},{"key":"e_1_3_3_28_1","doi-asserted-by":"publisher","DOI":"10.1186\/S12936-019-2756-4\/TABLES\/4"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1039\/d1sc04444c"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-023-00694-z"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.2c01336"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1021\/ACS.JCTC.1C00302"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/JCC.10369"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1093\/NAR\/GKY1075"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130805"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1111\/J.1432-1033.1997.00552.X"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aan1478"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.aaf8675"},{"key":"e_1_3_3_39_1","unstructured":"Process for preparing optically active 4-hydroxy-2-pyrrolidinone and n-substituted 4-hydroxy-2-pyrrolidinones by enzymatic hydroxylation. (2001)."},{"key":"e_1_3_3_40_1","unstructured":"RDKit. (2023). RDKit. http:\/\/www.rdkit.org\/"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMOA1707914"},{"key":"e_1_3_3_42_1","unstructured":"Schrodinger. (2015a). Glide 6.7 \u2013 User manual. Schr\u00f6dinger Press."},{"key":"e_1_3_3_43_1","unstructured":"Schrodinger. (2015b). Protein preparation guide Schr\u00f6dinger software release 2015-2. Schr\u00f6dinger Press."},{"key":"e_1_3_3_44_1","unstructured":"Schrodinger. (2015c). QikProp 4.4 user manual. Schr\u00f6dinger Press."},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1107\/S0907444904011679"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1600-0854.2007.00589.x"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-007-9133-z"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.BMC.2016.06.034"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00559"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1005343"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41564-018-0111-0"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-37890-2"},{"issue":"3","key":"e_1_3_3_53_1","first-page":"210","article-title":"Naturally-occurring and recombinant forms of the aspartic proteinases plasmepsins I and II from the human malaria parasite Plasmodium falciparum","volume":"454","author":"Tyas L.","year":"2022","unstructured":"Tyas, L., Gluzman, I., Moon, R. P., Rupp, K., Westling, J., Ridley, R. G., Kay, J., Goldberg, D. E., & Berry, C. (2022). Naturally-occurring and recombinant forms of the aspartic proteinases plasmepsins I and II from the human malaria parasite Plasmodium falciparum. FEBS Letter, 454(3), 210\u2013214. https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0014579399008054","journal-title":"FEBS Letter"},{"key":"e_1_3_3_54_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chom.2016.06.004"},{"key":"e_1_3_3_55_1","doi-asserted-by":"publisher","DOI":"10.2174\/157340906778226454"},{"key":"e_1_3_3_56_1","unstructured":"WHO. (2022). World malaria report 2021. https:\/\/www.who.int\/teams\/global-malaria-programme\/reports\/world-malaria-report-2021"},{"key":"e_1_3_3_57_1","volume-title":"World malaria report 2015","author":"World Health Organization","year":"2016","unstructured":"World Health Organization. (2016). World malaria report 2015. WHO."},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.26434\/chemrxiv-2022-gdsgf"},{"key":"e_1_3_3_59_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00747"}],"updated-by":[{"DOI":"10.1080\/07391102.2023.2288379","type":"correction","label":"Correction","source":"publisher","updated":{"date-parts":[[2023,11,25]],"date-time":"2023-11-25T00:00:00Z","timestamp":1700870400000}}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2279700","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,2,13]],"date-time":"2025-02-13T09:00:10Z","timestamp":1739437210000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2279700"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,11,9]]},"references-count":58,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2025,1,2]]}},"alternative-id":["10.1080\/07391102.2023.2279700"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2279700","relation":{"correction":[{"id-type":"doi","id":"10.1080\/07391102.2023.2288379","asserted-by":"object"}]},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,11,9]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2023-06-20","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-10-27","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-11-09","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}