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REINVENT 2.0: An AI Tool for De Novo Drug Design.
Blaschke T, Arús-Pous J, Chen H, Margreitter C, Tyrchan C, Engkvist O, Papadopoulos K, Patronov A. Blaschke T, et al. Among authors: papadopoulos k. J Chem Inf Model. 2020 Dec 28;60(12):5918-5922. doi: 10.1021/acs.jcim.0c00915. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33118816
Has Artificial Intelligence Impacted Drug Discovery?
Patronov A, Papadopoulos K, Engkvist O. Patronov A, et al. Among authors: papadopoulos k. Methods Mol Biol. 2022;2390:153-176. doi: 10.1007/978-1-0716-1787-8_6. Methods Mol Biol. 2022. PMID: 34731468
DockStream: a docking wrapper to enhance de novo molecular design.
Guo J, Janet JP, Bauer MR, Nittinger E, Giblin KA, Papadopoulos K, Voronov A, Patronov A, Engkvist O, Margreitter C. Guo J, et al. Among authors: papadopoulos k. J Cheminform. 2021 Nov 17;13(1):89. doi: 10.1186/s13321-021-00563-7. J Cheminform. 2021. PMID: 34789335 Free PMC article.
Human-in-the-loop assisted de novo molecular design.
Sundin I, Voronov A, Xiao H, Papadopoulos K, Bjerrum EJ, Heinonen M, Patronov A, Kaski S, Engkvist O. Sundin I, et al. Among authors: papadopoulos k. J Cheminform. 2022 Dec 28;14(1):86. doi: 10.1186/s13321-022-00667-8. J Cheminform. 2022. PMID: 36578043 Free PMC article.
Discovery of Novel UDP-N-Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa.
Ryan MD, Parkes AL, Corbett D, Dickie AP, Southey M, Andersen OA, Stein DB, Barbeau OR, Sanzone A, Thommes P, Barker J, Cain R, Compper C, Dejob M, Dorali A, Etheridge D, Evans S, Faulkner A, Gadouleau E, Gorman T, Haase D, Holbrow-Wilshaw M, Krulle T, Li X, Lumley C, Mertins B, Napier S, Odedra R, Papadopoulos K, Roumpelakis V, Spear K, Trimby E, Williams J, Zahn M, Keefe AD, Zhang Y, Soutter HT, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Deng B, Hunt A, Sigel EA, Troast DM, DeJonge BLM. Ryan MD, et al. Among authors: papadopoulos k. J Med Chem. 2021 Oct 14;64(19):14377-14425. doi: 10.1021/acs.jmedchem.1c00888. Epub 2021 Sep 27. J Med Chem. 2021. PMID: 34569791
Practical guidance and clinical applications of transoesophageal echocardiography. A position paper of the working group of echocardiography of the Hellenic Society of Cardiology.
Papadopoulos CH, Kadoglou NPE, Theodosis-Georgilas A, Papadopoulos KG, Rallidis L, Loizos S, Karabinos I, Kassinos N, Sahpekidis V, Chrysoheris M, Ninios V, Frogoudaki A, Makavos G, Drakopoulou M, Yiangou K, Karagiannis S, Zois N, Patrianakos A, Ikonomidis I, Tsiapras D, Kouris N, Aggeli K, Pappas K, Prappa E, Stefanidis A. Papadopoulos CH, et al. Among authors: papadopoulos kg. Curr Probl Cardiol. 2024 May 9:102634. doi: 10.1016/j.cpcardiol.2024.102634. Online ahead of print. Curr Probl Cardiol. 2024. PMID: 38734120 Review.
A next-generation BRAF inhibitor overcomes resistance to BRAF inhibition in patients with BRAF-mutant cancers using pharmacokinetics-informed dose escalation.
Yaeger R, McKean MA, Haq R, Beck JT, Taylor MH, Cohen JE, Bowles DW, Gadgeel SM, Mihalcioiu C, Papadopoulos KP, Diamond EL, Sturtz KB, Feng G, Drescher SK, Reddy MB, Sengupta B, Maity AK, Brown SA, Singh A, Brown EN, Baer BR, Wong J, Mou TC, Wu WI, Kahn DR, Gadal S, Rosen N, Gaudino JJ, Lee PA, Hartley DP, Rothenberg SM. Yaeger R, et al. Among authors: papadopoulos kp. Cancer Discov. 2024 Apr 30. doi: 10.1158/2159-8290.CD-24-0024. Online ahead of print. Cancer Discov. 2024. PMID: 38691346
399 results