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Molecular determinants of ASIC1 modulation by divalent cations.
Liu Y, Ma J, DesJarlais RL, Hagan R, Rech J, Liu C, Miller R, Schoellerman J, Luo J, Letavic M, Grasberger B, Maher MP. Liu Y, et al. Among authors: desjarlais rl. Sci Rep. 2024 Jan 28;14(1):2320. doi: 10.1038/s41598-024-52845-3. Sci Rep. 2024. PMID: 38282035 Free PMC article.
Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
Xu G, Liu Z, Wang X, Lu T, DesJarlais RL, Thieu T, Zhang J, Devine ZH, Du F, Li Q, Milligan CM, Shaffer P, Cedervall PE, Spurlino JC, Stratton CF, Pietrak B, Szewczuk LM, Wong V, Steele RA, Bruinzeel W, Chintala M, Silva J, Gaul MD, Macielag MJ, Nargund R. Xu G, et al. Among authors: desjarlais rl. J Med Chem. 2022 Aug 11;65(15):10419-10440. doi: 10.1021/acs.jmedchem.2c00442. Epub 2022 Jul 21. J Med Chem. 2022. PMID: 35862732
Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks.
Seierstad M, Tichenor MS, DesJarlais RL, Na J, Bacani GM, Chung M, Mercado-Marin EV, Steffens HC, Mirzadegan T. Seierstad M, et al. Among authors: desjarlais rl. ACS Med Chem Lett. 2021 Oct 25;12(11):1853-1860. doi: 10.1021/acsmedchemlett.1c00340. eCollection 2021 Nov 11. ACS Med Chem Lett. 2021. PMID: 34795876 Free PMC article.
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
Struble TJ, Alvarez JC, Brown SP, Chytil M, Cisar J, DesJarlais RL, Engkvist O, Frank SA, Greve DR, Griffin DJ, Hou X, Johannes JW, Kreatsoulas C, Lahue B, Mathea M, Mogk G, Nicolaou CA, Palmer AD, Price DJ, Robinson RI, Salentin S, Xing L, Jaakkola T, Green WH, Barzilay R, Coley CW, Jensen KF. Struble TJ, et al. Among authors: desjarlais rl. J Med Chem. 2020 Aug 27;63(16):8667-8682. doi: 10.1021/acs.jmedchem.9b02120. Epub 2020 Apr 14. J Med Chem. 2020. PMID: 32243158 Free PMC article.
60 results