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Gabriela Falcón-Cano, Christophe Molina & Miguel Ángel Cabrera-Pérez. (2020) ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability. Journal of Chemical Information and Modeling 60:6, pages 2660-2667.
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Baichun Hu, Johnson Joseph, Xiaohui Geng, Yiheng Wu, Muhammad R. Suleiman, Xinyue Liu, Jiyue Shi, Xiujun Wang, Zhicheng He, Jian Wang & Maosheng Cheng. (2020) Refined pharmacophore features for virtual screening of human thromboxane A2 receptor antagonists. Computational Biology and Chemistry 86, pages 107249.
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Baichun Hu, Zisen Gao, Hanxun Wang, Jian Wang & Maosheng Cheng. (2020) Computational insights into the sorption mechanism of polycyclic aromatic hydrocarbons by carbon nanotube through density functional theory calculation and molecular dynamics simulation. Computational Materials Science 179, pages 109677.
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