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WhichCyp: prediction of cytochromes P450 inhibition.
Rostkowski M, Spjuth O, Rydberg P. Rostkowski M, et al. Bioinformatics. 2013 Aug 15;29(16):2051-2. doi: 10.1093/bioinformatics/btt325. Epub 2013 Jun 5. Bioinformatics. 2013. PMID: 23740742
Mechanistic Analysis of the Base-Catalyzed HF Elimination from 4-Fluoro-4-(4'-nitrophenyl)butane-2-one Based on Liquid-Phase Kinetic Isotope Effects Calculated by Dynamics Modeling with Multidimensional Tunneling.
Kim Y, Marenich AV, Zheng J, Kim KH, Kołodziejska-Huben M, Rostkowski M, Paneth P, Truhlar DG. Kim Y, et al. Among authors: rostkowski m. J Chem Theory Comput. 2009 Jan 13;5(1):59-67. doi: 10.1021/ct800345j. J Chem Theory Comput. 2009. PMID: 26609820
23 results