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Zhang, Xinyuan; Zheng, Nan; Zou, Peng et al. (2010) Cells on pores: a simulation-driven analysis of transcellular small molecule transport. Mol Pharm 7:456-67
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Abdullah, Newaj M; Rosania, Gus R; Shedden, Kerby (2009) Selective targeting of tumorigenic cancer cell lines by microtubule inhibitors. PLoS One 4:e4470
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Shedden, Kerby; Yang, Yang; Rosania, Gus (2009) Gene expression associations with the growth inhibitory effects of small molecules on live cells: specificity of effects and uniformity of mechanisms. Stat Anal Data Min 2:175-185
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Park, Jungkap; Rosania, Gus R; Saitou, Kazuhiro (2009) Tunable machine vision-based strategy for automated annotation of chemical databases. J Chem Inf Model 49:1993-2001
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Shedden, Kerby; Li, Qian; Liu, Fangyi et al. (2009) Machine vision-assisted analysis of structure-localization relationships in a combinatorial library of prospective bioimaging probes. Cytometry A 75:482-93
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Carlson, Heather A; Smith, Richard D; Khazanov, Nickolay A et al. (2008) Differences between high- and low-affinity complexes of enzymes and nonenzymes. J Med Chem 51:6432-41
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Trapp, Stefan; Rosania, Gus R; Horobin, Richard W et al. (2008) Quantitative modeling of selective lysosomal targeting for drug design. Eur Biophys J 37:1317-28
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Lee, Adam C; Shedden, Kerby; Rosania, Gustavo R et al. (2008) Data mining the NCI60 to predict generalized cytotoxicity. J Chem Inf Model 48:1379-88
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Kainkaryam, Raghunandan M; Woolf, Peter J (2008) poolHiTS: a shifted transversal design based pooling strategy for high-throughput drug screening. BMC Bioinformatics 9:256
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Zhang, Xinyuan; Zheng, Nan; Rosania, Gus R (2008) Simulation-based cheminformatic analysis of organelle-targeted molecules: lysosomotropic monobasic amines. J Comput Aided Mol Des 22:629-45
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Showing the most recent 10 out of 13 publications
