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Computational modeling of P450s for toxicity prediction

Pages 1211-1231 | Published online: 25 Aug 2011

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Yin Cheong Wong, Shuai Qian & Zhong Zuo. (2012) Regioselective biotransformation of CNS drugs and its clinical impact on adverse drug reactions. Expert Opinion on Drug Metabolism & Toxicology 8:7, pages 833-854.
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Dmitry A. Filimonov, Anastassia V. Rudik, Alexander V. Dmitriev & Vladimir V. Poroikov. (2020) Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body. International Journal of Molecular Sciences 21:20, pages 7492.
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Yi Ren, Yao Ding, Fanqi Meng, Lei Jiang, Huanhuan Li, Jing Huang, Peng Yu & Zhaohui Qiu. (2020) Quantification of CYP2E1 in rat liver by UPLC-MS/MS-based targeted proteomics assay: a novel approach for enzyme activity assessment. Analytical and Bioanalytical Chemistry 412:22, pages 5409-5418.
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Lydia Benkaidali, François André, Gautier Moroy, Bahoueddine Tangour, François Maurel & Michel Petitjean. (2019) Four Major Channels Detected in the Cytochrome P450 3A4: A Step toward Understanding Its Multispecificity. International Journal of Molecular Sciences 20:4, pages 987.
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Emese E. Somogyvari, Selim G. Akl & Louise M. Winn. 2017. Emergent Computation. Emergent Computation 453 465 .
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Ni Ai, Xiaohui Fan & Sean Ekins. (2015) In silico methods for predicting drug–drug interactions with cytochrome P-450s, transporters and beyond. Advanced Drug Delivery Reviews 86, pages 46-60.
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Anita R. Iskandar. 2015. Computational Systems Toxicology. Computational Systems Toxicology 285 315 .
Pankaj Kumar Arora & Hanhong Bae. (2014) Integration of bioinformatics to biodegradation. Biological Procedures Online 16:1.
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Workalemahu M. Berhanu, Girinath G. Pillai, Alexander A. Oliferenko & Alan R. Katritzky. (2012) Quantitative Structure-Activity/Property Relationships: The Ubiquitous Links between Cause and Effect. ChemPlusChem 77:7, pages 507-517.
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Daniel T. Chang, Michael-Rock Goldsmith, Rogelio Tornero-Velez, Yu-Mei Tan, Christopher M. Grulke, Ling-Jen Chen, Elin M. Ulrich, Andrew B. Lindstrom, Melissa A. Pasquinelli, James R. Rabinowitz & Curtis C. Dary. 2012. Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment. Parameters for Pesticide QSAR and PBPK/PD Models for Human Risk Assessment 245 269 .
Michael Rieder & John R. Bend. 2012. Recent Trends in Medicinal Plants Research. Recent Trends in Medicinal Plants Research 385 408 .
Fang Tang, Le Zou, Jingyao Chen & Fanqi Meng. (2022) Using Uplc–Ms/Ms-Based Targeted Proteomics Assay to Research the Relationship between Cyp3a2 Expression and Enzymatic Activity. SSRN Electronic Journal.
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