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Molecular Pharmaceutics|December 28, 2018
Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational ApproachesPan-Fen Wang, Alicia Neiner, Thomas R Lane, et al.Plos One|May 14, 2013
Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian modelsSean Ekins, Robert C Reynolds, Scott G Franzblau, et al.Current Research in Toxicology|November 10, 2022
Confirmation of high-throughput screening data and novel mechanistic insights into FXR-xenobiotic interactions by orthogonal assaysJon Hamm, Debabrata Mahapatra, Megan M Knuth, et al.The Journal of Steroid Biochemistry and Molecular Biology|April 9, 2008
Ligand specificity and evolution of liver X receptorsErica J Reschly, Ni Ai, William J Welsh, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 29, 2008
A comprehensive in vitro and in silico analysis of antibiotics that activate pregnane X receptor and induce CYP3A4 in liver and intestineKazuto Yasuda, Aarati Ranade, Raman Venkataramanan, et al.Chemical Research in Toxicology|June 13, 2008
Machine learning methods and docking for predicting human pregnane X receptor activationAkash Khandelwal, Matthew D Krasowski, Erica J Reschly, et al.ACS Omega|November 29, 2023
1-Sulfonyl-3-amino-1H-1,2,4-triazoles as Yellow Fever Virus Inhibitors: Synthesis and Structure-Activity RelationshipElena Kazakova, Thomas R Lane, Thane Jones, et al.AIDS (London, England)|March 31, 2017
α7-Nicotinic acetylcholine receptor inhibition by indinavir: implications for cognitive dysfunction in treated HIV diseaseSean Ekins, Paul Mathews, Erin K Saito, et al.Journal of Chemical Information and Modeling|March 27, 2024
Sequential Contrastive and Deep Learning Models to Identify Selective Butyrylcholinesterase InhibitorsMustafa Kemal Ozalp, Patricia A Vignaux, Ana C Puhl, et al.Molecular Pharmaceutics|October 21, 2022
Machine Learning Models Identify New Inhibitors for Human OATP1B1Thomas R Lane, Fabio Urbina, Xiaohong Zhang, et al.Pageof 37