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Design, development and evaluation of novel dual PPARδ/PPARγ agonists.
Gathiaka S, Nanayakkara G, Boncher T, Acevedo O, Wyble J, Patel S, Patel A, Shane ME, Bonkowski B, Wieczorek J, Rong Y, Huggins K, Smith F, Amin RH. Gathiaka S, et al. Bioorg Med Chem Lett. 2013 Feb 1;23(3):873-9. doi: 10.1016/j.bmcl.2012.11.060. Epub 2012 Dec 3. Bioorg Med Chem Lett. 2013. PMID: 23273519
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations.
Doherty B, Zhong X, Gathiaka S, Li B, Acevedo O. Doherty B, et al. Among authors: gathiaka s. J Chem Theory Comput. 2017 Dec 12;13(12):6131-6145. doi: 10.1021/acs.jctc.7b00520. Epub 2017 Nov 20. J Chem Theory Comput. 2017. PMID: 29112809
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB Jr, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK. Gathiaka S, et al. J Comput Aided Mol Des. 2016 Sep;30(9):651-668. doi: 10.1007/s10822-016-9946-8. Epub 2016 Sep 30. J Comput Aided Mol Des. 2016. PMID: 27696240 Free PMC article.
Identification of PLX4032-resistance mechanisms and implications for novel RAF inhibitors.
Choi J, Landrette SF, Wang T, Evans P, Bacchiocchi A, Bjornson R, Cheng E, Stiegler AL, Gathiaka S, Acevedo O, Boggon TJ, Krauthammer M, Halaban R, Xu T. Choi J, et al. Among authors: gathiaka s. Pigment Cell Melanoma Res. 2014 Mar;27(2):253-62. doi: 10.1111/pcmr.12197. Epub 2014 Jan 6. Pigment Cell Melanoma Res. 2014. PMID: 24283590 Free PMC article.
Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Li D, Zhang H, Lyons TW, Lu M, Achab A, Pu Q, Childers M, Mitcheltree MJ, Wang J, Martinot TA, McMinn SE, Sloman DL, Palani A, Beard A, Nogle L, Gathiaka S, Saurí J, Kim HY, Adpressa D, Spacciapoli P, Miller JR, Palte RL, Lesburg CA, Cumming J, Fischer C. Li D, et al. Among authors: gathiaka s. ACS Med Chem Lett. 2021 Oct 13;12(11):1678-1688. doi: 10.1021/acsmedchemlett.1c00258. eCollection 2021 Nov 11. ACS Med Chem Lett. 2021. PMID: 34795856 Free PMC article.
21 results