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Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge.
Bergazin TD, Tielker N, Zhang Y, Mao J, Gunner MR, Francisco K, Ballatore C, Kast SM, Mobley DL. Bergazin TD, et al. Among authors: ballatore c. J Comput Aided Mol Des. 2021 Jul;35(7):771-802. doi: 10.1007/s10822-021-00397-3. Epub 2021 Jun 24. J Comput Aided Mol Des. 2021. PMID: 34169394 Free PMC article.
1,2,4-Triazolo[1,5-a]pyrimidines in drug design.
Oukoloff K, Lucero B, Francisco KR, Brunden KR, Ballatore C. Oukoloff K, et al. Among authors: ballatore c. Eur J Med Chem. 2019 Mar 1;165:332-346. doi: 10.1016/j.ejmech.2019.01.027. Epub 2019 Jan 14. Eur J Med Chem. 2019. PMID: 30703745 Free PMC article. Review.
Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells.
Lopez-Ramirez MA, McCurdy S, Li W, Haynes MK, Hale P, Francisco K, Oukoloff K, Bautista M, Choi CHJ, Sun H, Gongol B, Shyy JY, Ballatore C, Sklar LA, Gingras AR. Lopez-Ramirez MA, et al. Among authors: ballatore c. FASEB Bioadv. 2021 Feb 18;3(5):334-355. doi: 10.1096/fba.2020-00141. eCollection 2021 May. FASEB Bioadv. 2021. PMID: 33977234 Free PMC article.
Thietanes and Derivatives thereof in Medicinal Chemistry.
Francisco KR, Ballatore C. Francisco KR, et al. Among authors: ballatore c. Curr Top Med Chem. 2022;22(15):1219-1234. doi: 10.2174/1568026622666220511154228. Curr Top Med Chem. 2022. PMID: 35546768 Review.
Microtubule-Stabilizing 1,2,4-Triazolo[1,5-a]pyrimidines as Candidate Therapeutics for Neurodegenerative Disease: Matched Molecular Pair Analyses and Computational Studies Reveal New Structure-Activity Insights.
Alle T, Varricchio C, Yao Y, Lucero B, Nzou G, Demuro S, Muench M, Vuong KD, Oukoloff K, Cornec AS, Francisco KR, Caffrey CR, Lee VM, Smith AB 3rd, Brancale A, Brunden KR, Ballatore C. Alle T, et al. Among authors: ballatore c. J Med Chem. 2023 Jan 12;66(1):435-459. doi: 10.1021/acs.jmedchem.2c01411. Epub 2022 Dec 19. J Med Chem. 2023. PMID: 36534051 Free PMC article.
Hydrogen Bonding Parameters by Rapid Colorimetric Assessment: Evaluation of Structural Components Found in Biological Ligands and Organocatalysts.
Roenfanz HF, Paniak TJ, Berlin CB, Tran V, Francisco KR, Lassalas P, Devas A, Landes O, Rosenberger A, Rotella ME, Ballatore C, Kozlowski MC. Roenfanz HF, et al. Among authors: ballatore c. Chemistry. 2023 Jul 14;29(40):e202300696. doi: 10.1002/chem.202300696. Epub 2023 May 26. Chemistry. 2023. PMID: 36917701
Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors.
Francisco KR, Bruystens J, Varricchio C, McCurdy S, Wu J, Lopez-Ramirez MA, Ginsberg M, Caffrey CR, Brancale A, Gingras AR, Hixon MS, Ballatore C. Francisco KR, et al. Among authors: ballatore c. ACS Pharmacol Transl Sci. 2023 Oct 9;6(11):1651-1658. doi: 10.1021/acsptsci.3c00156. eCollection 2023 Nov 10. ACS Pharmacol Transl Sci. 2023. PMID: 37974623 Free article.
79 results