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The RESOLUTE consortium: unlocking SLC transporters for drug discovery.
Superti-Furga G, Lackner D, Wiedmer T, Ingles-Prieto A, Barbosa B, Girardi E, Goldmann U, Gürtl B, Klavins K, Klimek C, Lindinger S, Liñeiro-Retes E, Müller AC, Onstein S, Redinger G, Reil D, Sedlyarov V, Wolf G, Crawford M, Everley R, Hepworth D, Liu S, Noell S, Piotrowski M, Stanton R, Zhang H, Corallino S, Faedo A, Insidioso M, Maresca G, Redaelli L, Sassone F, Scarabottolo L, Stucchi M, Tarroni P, Tremolada S, Batoulis H, Becker A, Bender E, Chang YN, Ehrmann A, Müller-Fahrnow A, Pütter V, Zindel D, Hamilton B, Lenter M, Santacruz D, Viollet C, Whitehurst C, Johnsson K, Leippe P, Baumgarten B, Chang L, Ibig Y, Pfeifer M, Reinhardt J, Schönbett J, Selzer P, Seuwen K, Bettembourg C, Biton B, Czech J, de Foucauld H, Didier M, Licher T, Mikol V, Pommereau A, Puech F, Yaligara V, Edwards A, Bongers BJ, Heitman LH, IJzerman AP, Sijben HJ, van Westen GJP, Grixti J, Kell DB, Mughal F, Swainston N, Wright-Muelas M, Bohstedt T, Burgess-Brown N, Carpenter L, Dürr K, Hansen J, Scacioc A, Banci G, Colas C, Digles D, Ecker G, Füzi B, Gamsjäger V, Grandits M, Martini R, Troger F, Altermatt P, Doucerain C, Dürrenberger F, Manolova V, Steck AL, Sundström H, Wilhelm M, Steppan CM. Superti-Furga G, et al. Among authors: van westen gjp. Nat Rev Drug Discov. 2020 Jul;19(7):429-430. doi: 10.1038/d41573-020-00056-6. Nat Rev Drug Discov. 2020. PMID: 32265506 No abstract available.
Artificial intelligence in multi-objective drug design.
Luukkonen S, van den Maagdenberg HW, Emmerich MTM, van Westen GJP. Luukkonen S, et al. Among authors: van den maagdenberg hw, van westen gjp. Curr Opin Struct Biol. 2023 Apr;79:102537. doi: 10.1016/j.sbi.2023.102537. Epub 2023 Feb 10. Curr Opin Struct Biol. 2023. PMID: 36774727 Free article. Review.
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.
Šícho M, Luukkonen S, van den Maagdenberg HW, Schoenmaker L, Béquignon OJM, van Westen GJP. Šícho M, et al. Among authors: van den maagdenberg hw, van westen gjp. J Chem Inf Model. 2023 Jun 26;63(12):3629-3636. doi: 10.1021/acs.jcim.3c00434. Epub 2023 Jun 5. J Chem Inf Model. 2023. PMID: 37272707 Free PMC article.
UnCorrupt SMILES: a novel approach to de novo design.
Schoenmaker L, Béquignon OJM, Jespers W, van Westen GJP. Schoenmaker L, et al. Among authors: van westen gjp. J Cheminform. 2023 Feb 14;15(1):22. doi: 10.1186/s13321-023-00696-x. J Cheminform. 2023. PMID: 36788579 Free PMC article.
Oncological drug discovery: AI meets structure-based computational research.
Gorostiola González M, Janssen APA, IJzerman AP, Heitman LH, van Westen GJP. Gorostiola González M, et al. Among authors: van westen gjp. Drug Discov Today. 2022 Jun;27(6):1661-1670. doi: 10.1016/j.drudis.2022.03.005. Epub 2022 Mar 14. Drug Discov Today. 2022. PMID: 35301149 Free article. Review.
112 results