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MEN1 mutations mediate clinical resistance to menin inhibition.
Perner F, Stein EM, Wenge DV, Singh S, Kim J, Apazidis A, Rahnamoun H, Anand D, Marinaccio C, Hatton C, Wen Y, Stone RM, Schaller D, Mowla S, Xiao W, Gamlen HA, Stonestrom AJ, Persaud S, Ener E, Cutler JA, Doench JG, McGeehan GM, Volkamer A, Chodera JD, Nowak RP, Fischer ES, Levine RL, Armstrong SA, Cai SF. Perner F, et al. Among authors: schaller d. Nature. 2023 Mar;615(7954):913-919. doi: 10.1038/s41586-023-05755-9. Epub 2023 Mar 15. Nature. 2023. PMID: 36922589 Free PMC article. Clinical Trial.
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance.
López-Ríos de Castro R, Rodríguez-Guerra J, Schaller D, Kimber TB, Taylor C, White JB, Backenköhler M, Payne A, Kaminow B, Pulido I, Singh S, Kramer PL, Pérez-Hernández G, Volkamer A, Chodera JD. López-Ríos de Castro R, et al. Among authors: schaller d. bioRxiv [Preprint]. 2024 Sep 10:2024.09.10.612176. doi: 10.1101/2024.09.10.612176. bioRxiv. 2024. PMID: 39314436 Free PMC article. Preprint.
Bone Substitute Material in the Surgical Therapy of Peri-Implantitis-3-Year Outcomes of a Randomized Controlled Trial.
Alibegovic L, Trullenque-Eriksson A, Ortiz-Vigón A, Guerrero A, Donati M, Bressan E, Karlsson K, Dionigi C, Regidor E, Ichioka Y, Tomasi C, Ghensi P, Schaller D, Abrahamsson I, Berglundh T, Derks J. Alibegovic L, et al. Among authors: schaller d. Clin Oral Implants Res. 2024 Dec 20. doi: 10.1111/clr.14393. Online ahead of print. Clin Oral Implants Res. 2024. PMID: 39704200
Benchmarking Cross-Docking Strategies in Kinase Drug Discovery.
Schaller DA, Christ CD, Chodera JD, Volkamer A. Schaller DA, et al. J Chem Inf Model. 2024 Dec 9;64(23):8848-8858. doi: 10.1021/acs.jcim.4c00905. Epub 2024 Nov 18. J Chem Inf Model. 2024. PMID: 39558632 Free PMC article.
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC; COVID Moonshot Consortium‡; Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, MacLean … See abstract for full author list ➔ Boby ML, et al. Among authors: schaller d. Science. 2023 Nov 10;382(6671):eabo7201. doi: 10.1126/science.abo7201. Epub 2023 Nov 10. Science. 2023. PMID: 37943932 Free PMC article.
Clustering systems of phylogenetic networks.
Hellmuth M, Schaller D, Stadler PF. Hellmuth M, et al. Among authors: schaller d. Theory Biosci. 2023 Nov;142(4):301-358. doi: 10.1007/s12064-023-00398-w. Epub 2023 Aug 12. Theory Biosci. 2023. PMID: 37573261 Free PMC article.
81 results