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Page 1
Protein-ligand data at scale to support machine learning.
Edwards AM, Owen DR; Structural Genomics Consortium Target 2035 Working Group. Edwards AM, et al. Nat Rev Chem. 2025 Sep;9(9):634-645. doi: 10.1038/s41570-025-00737-z. Epub 2025 Jul 23. Nat Rev Chem. 2025. PMID: 40702244 Review.
Application of an automated natural language processing (NLP) workflow to enable federated search of external biomedical content in drug discovery and development.
McEntire R, Szalkowski D, Butler J, Kuo MS, Chang M, Chang M, Freeman D, McQuay S, Patel J, McGlashen M, Cornell WD, Xu JJ. McEntire R, et al. Among authors: cornell wd. Drug Discov Today. 2016 May;21(5):826-35. doi: 10.1016/j.drudis.2016.03.006. Epub 2016 Mar 12. Drug Discov Today. 2016. PMID: 26979546 Review.
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.
Ackloo S, Al-Awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, Bengio Y, Betz UAK, Bologa CG, Chodera JD, Cornell WD, Dunham I, Ecker GF, Edfeldt K, Edwards AM, Gilson MK, Gordijo CR, Hessler G, Hillisch A, Hogner A, Irwin JJ, Jansen JM, Kuhn D, Leach AR, Lee AA, Lessel U, Morgan MR, Moult J, Muegge I, Oprea TI, Perry BG, Riley P, Rousseaux SAL, Saikatendu KS, Santhakumar V, Schapira M, Scholten C, Todd MH, Vedadi M, Volkamer A, Willson TM. Ackloo S, et al. Among authors: cornell wd. Nat Rev Chem. 2022 Apr;6(4):287-295. doi: 10.1038/s41570-022-00363-z. Epub 2022 Feb 15. Nat Rev Chem. 2022. PMID: 35783295 Free PMC article.
Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13.
Monovich LG, Tommasi RA, Fujimoto RA, Blancuzzi V, Clark K, Cornell WD, Doti R, Doughty J, Fang J, Farley D, Fitt J, Ganu V, Goldberg R, Goldstein R, Lavoie S, Kulathila R, Macchia W, Parker DT, Melton R, O'Byrne E, Pastor G, Pellas T, Quadros E, Reel N, Roland DM, Sakane Y, Singh H, Skiles J, Somers J, Toscano K, Wigg A, Zhou S, Zhu L, Shieh WC, Xue S, McQuire LW. Monovich LG, et al. Among authors: cornell wd. J Med Chem. 2009 Jun 11;52(11):3523-38. doi: 10.1021/jm801394m. J Med Chem. 2009. PMID: 19422229
22 results