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Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Salem AH, Tao ZF, Bueno OF, Chen J, Chen S, Edalji R, Elmore SW, Fournier KM, Harper KC, Hong R, Jenkins GJ, Ji J, Judge RA, Kalvass JC, Klix RC, Ku YY, Leverson JD, Marks RA, Marsh KC, Menon RM, Park CH, Phillips DC, Pu YM, Rosenberg SH, Sanzgiri YD, Sheikh AY, Shi Y, Stolarik D, Suleiman AA, Wang X, Zhang GGZ, Catron ND, Souers AJ. Salem AH, et al. Among authors: hong r. Mol Cancer Ther. 2021 Jun;20(6):999-1008. doi: 10.1158/1535-7163.MCT-21-0077. Epub 2021 Mar 30. Mol Cancer Ther. 2021. PMID: 33785651
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series.
Hong RS, Mattei A, Sheikh AY, Bhardwaj RM, Bellucci MA, McDaniel KF, Pierce MO, Sun G, Li S, Wang L, Mondal S, Ji J, Borchardt TB. Hong RS, et al. J Chem Inf Model. 2021 Mar 22;61(3):1412-1426. doi: 10.1021/acs.jcim.0c01410. Epub 2021 Mar 4. J Chem Inf Model. 2021. PMID: 33661005
Implications of the Conformationally Flexible, Macrocyclic Structure of the First-Generation, Direct-Acting Anti-Viral Paritaprevir on Its Solid Form Complexity and Chameleonic Behavior.
Sheikh AY, Mattei A, Miglani Bhardwaj R, Hong RS, Abraham NS, Schneider-Rauber G, Engstrom KM, Diwan M, Henry RF, Gao Y, Juarez V, Jordan E, DeGoey DA, Hutchins CW. Sheikh AY, et al. Among authors: hong rs. J Am Chem Soc. 2021 Oct 27;143(42):17479-17491. doi: 10.1021/jacs.1c06837. Epub 2021 Oct 12. J Am Chem Soc. 2021. PMID: 34637297
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields.
Mattei A, Hong RS, Dietrich H, Firaha D, Helfferich J, Liu YM, Sasikumar K, Abraham NS, Miglani Bhardwaj R, Neumann MA, Sheikh AY. Mattei A, et al. Among authors: hong rs. J Chem Theory Comput. 2022 Sep 13;18(9):5725-5738. doi: 10.1021/acs.jctc.2c00451. Epub 2022 Aug 5. J Chem Theory Comput. 2022. PMID: 35930763 Free PMC article.
1,530 results