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Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3Kα Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Varkaris A, Pazolli E, Gunaydin H, Wang Q, Pierce L, Boezio AA, Bulku A, DiPietro L, Fridrich C, Frost A, Giordanetto F, Hamilton EP, Harris K, Holliday M, Hunter TL, Iskandar A, Ji Y, Larivée A, LaRochelle JR, Lescarbeau A, Llambi F, Lormil B, Mader MM, Mar BG, Martin I, McLean TH, Michelsen K, Pechersky Y, Puente-Poushnejad E, Raynor K, Rogala D, Samadani R, Schram AM, Shortsleeves K, Swaminathan S, Tajmir S, Tan G, Tang Y, Valverde R, Wehrenberg B, Wilbur J, Williams BR, Zeng H, Zhang H, Walters WP, Wolf BB, Shaw DE, Bergstrom DA, Watters J, Fraser JS, Fortin PD, Kipp DR. Varkaris A, et al. Among authors: walters wp. Cancer Discov. 2024 Feb 8;14(2):240-257. doi: 10.1158/2159-8290.CD-23-0944. Cancer Discov. 2024. PMID: 37916956 Free PMC article.
Assessment of protein-ligand complexes in CASP15.
Robin X, Studer G, Durairaj J, Eberhardt J, Schwede T, Walters WP. Robin X, et al. Among authors: walters wp. Proteins. 2023 Dec;91(12):1811-1821. doi: 10.1002/prot.26601. Epub 2023 Oct 5. Proteins. 2023. PMID: 37795762
Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
Taylor AM, Williams BR, Giordanetto F, Kelley EH, Lescarbeau A, Shortsleeves K, Tang Y, Walters WP, Arrazate A, Bowman C, Brophy E, Chan EW, Deshmukh G, Greisman JB, Hunsaker TL, Kipp DR, Saenz Lopez-Larrocha P, Maddalo D, Martin IJ, Maragakis P, Merchant M, Murcko M, Nisonoff H, Nguyen V, Nguyen V, Orozco O, Owen C, Pierce L, Schmidt M, Shaw DE, Smith S, Therrien E, Tran JC, Watters J, Waters NJ, Wilbur J, Willmore L. Taylor AM, et al. Among authors: walters wp. J Med Chem. 2023 Oct 12;66(19):13384-13399. doi: 10.1021/acs.jmedchem.3c00483. Epub 2023 Sep 29. J Med Chem. 2023. PMID: 37774359
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
Shanmugasundaram V, Bajorath J, Christoffersen RE, Petke JD, Howe WJ, Johnson MA, Agrafiotis DK, Lee P, Kuhn LA, Goodwin JT, Holloway MK, Doman TN, Walters WP, Schreyer S, Medina-Franco JL, Martinez-Mayorga K, Restifo LL. Shanmugasundaram V, et al. Among authors: walters wp. J Comput Aided Mol Des. 2022 Sep;36(9):623-638. doi: 10.1007/s10822-022-00473-2. Epub 2022 Sep 17. J Comput Aided Mol Des. 2022. PMID: 36114380
Defining Levels of Automated Chemical Design.
Goldman B, Kearnes S, Kramer T, Riley P, Walters WP. Goldman B, et al. Among authors: walters wp. J Med Chem. 2022 May 26;65(10):7073-7087. doi: 10.1021/acs.jmedchem.2c00334. Epub 2022 May 5. J Med Chem. 2022. PMID: 35511951 Free PMC article. Review.
Critical assessment of AI in drug discovery.
Walters WP, Barzilay R. Walters WP, et al. Expert Opin Drug Discov. 2021 Sep;16(9):937-947. doi: 10.1080/17460441.2021.1915982. Epub 2021 Apr 19. Expert Opin Drug Discov. 2021. PMID: 33870801
New Trends in Virtual Screening.
Walters WP, Wang R. Walters WP, et al. J Chem Inf Model. 2020 Sep 28;60(9):4109-4111. doi: 10.1021/acs.jcim.0c01009. J Chem Inf Model. 2020. PMID: 32981325 No abstract available.
53 results