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ELIXIR and Toxicology: a community in development.
Martens M, Stierum R, Schymanski EL, Evelo CT, Aalizadeh R, Aladjov H, Arturi K, Audouze K, Babica P, Berka K, Bessems J, Blaha L, Bolton EE, Cases M, Damalas DΕ, Dave K, Dilger M, Exner T, Geerke DP, Grafström R, Gray A, Hancock JM, Hollert H, Jeliazkova N, Jennen D, Jourdan F, Kahlem P, Klanova J, Kleinjans J, Kondic T, Kone B, Lynch I, Maran U, Martinez Cuesta S, Ménager H, Neumann S, Nymark P, Oberacher H, Ramirez N, Remy S, Rocca-Serra P, Salek RM, Sallach B, Sansone SA, Sanz F, Sarimveis H, Sarntivijai S, Schulze T, Slobodnik J, Spjuth O, Tedds J, Thomaidis N, Weber RJM, van Westen GJP, Wheelock CE, Williams AJ, Witters H, Zdrazil B, Županič A, Willighagen EL. Martens M, et al. Among authors: van westen gjp. F1000Res. 2023 Oct 3;10:ELIXIR-1129. doi: 10.12688/f1000research.74502.2. eCollection 2021. F1000Res. 2023. PMID: 37842337 Free PMC article.
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening.
Tuerkova A, Bongers BJ, Norinder U, Ungvári O, Székely V, Tarnovskiy A, Szakács G, Özvegy-Laczka C, van Westen GJP, Zdrazil B. Tuerkova A, et al. Among authors: van westen gjp. J Chem Inf Model. 2022 Dec 26;62(24):6323-6335. doi: 10.1021/acs.jcim.1c01460. Epub 2022 Mar 11. J Chem Inf Model. 2022. PMID: 35274943 Free PMC article. Review.
Artificial intelligence for natural product drug discovery.
Mullowney MW, Duncan KR, Elsayed SS, Garg N, van der Hooft JJJ, Martin NI, Meijer D, Terlouw BR, Biermann F, Blin K, Durairaj J, Gorostiola González M, Helfrich EJN, Huber F, Leopold-Messer S, Rajan K, de Rond T, van Santen JA, Sorokina M, Balunas MJ, Beniddir MA, van Bergeijk DA, Carroll LM, Clark CM, Clevert DA, Dejong CA, Du C, Ferrinho S, Grisoni F, Hofstetter A, Jespers W, Kalinina OV, Kautsar SA, Kim H, Leao TF, Masschelein J, Rees ER, Reher R, Reker D, Schwaller P, Segler M, Skinnider MA, Walker AS, Willighagen EL, Zdrazil B, Ziemert N, Goss RJM, Guyomard P, Volkamer A, Gerwick WH, Kim HU, Müller R, van Wezel GP, van Westen GJP, Hirsch AKH, Linington RG, Robinson SL, Medema MH. Mullowney MW, et al. Among authors: van westen gjp. Nat Rev Drug Discov. 2023 Nov;22(11):895-916. doi: 10.1038/s41573-023-00774-7. Epub 2023 Sep 11. Nat Rev Drug Discov. 2023. PMID: 37697042 Review.
Development of a Retinal-Based Probe for the Profiling of Retinaldehyde Dehydrogenases in Cancer Cells.
Koenders STA, Wijaya LS, Erkelens MN, Bakker AT, van der Noord VE, van Rooden EJ, Burggraaff L, Putter PC, Botter E, Wals K, van den Elst H, den Dulk H, Florea BI, van de Water B, van Westen GJP, Mebius RE, Overkleeft HS, Le Dévédec SE, van der Stelt M. Koenders STA, et al. Among authors: van rooden ej, van der stelt m, van westen gjp, van den elst h, van de water b, van der noord ve. ACS Cent Sci. 2019 Dec 26;5(12):1965-1974. doi: 10.1021/acscentsci.9b01022. Epub 2019 Dec 12. ACS Cent Sci. 2019. PMID: 31893226 Free PMC article.
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen.
Menden MP, Wang D, Mason MJ, Szalai B, Bulusu KC, Guan Y, Yu T, Kang J, Jeon M, Wolfinger R, Nguyen T, Zaslavskiy M; AstraZeneca-Sanger Drug Combination DREAM Consortium; Jang IS, Ghazoui Z, Ahsen ME, Vogel R, Neto EC, Norman T, Tang EKY, Garnett MJ, Veroli GYD, Fawell S, Stolovitzky G, Guinney J, Dry JR, Saez-Rodriguez J. Menden MP, et al. Nat Commun. 2019 Jun 17;10(1):2674. doi: 10.1038/s41467-019-09799-2. Nat Commun. 2019. PMID: 31209238 Free PMC article.
109 results