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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.Environmental Science & Technology|June 27, 2025
Machine Learning and Large Language Models for Modeling Complex Toxicity Pathways and Predicting SteroidogenesisThomas R Lane, Patricia A Vignaux, Joshua S Harris, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|December 30, 2006
Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitorsSean Ekins, Dayna C Mankowski, Dennis J Hoover, et al.Journal of Biomolecular Screening|September 17, 2002
Optimizing higher throughput methods to assess drug-drug interactions for CYP1A2, CYP2C9, CYP2C19, CYP2D6, rCYP2D6, and CYP3A4 in vitro using a single point IC(50)Feng Gao, Diane L Johnson, Sean Ekins, et al.Pharmaceutical Research|July 1, 2018
Naïve Bayesian Models for Vero Cell CytotoxicityAlexander L Perryman, Jimmy S Patel, Riccardo Russo, et al.Chemical Research in Toxicology|February 16, 2010
Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibitionMichael Zientek, Chad Stoner, Robyn Ayscue, et al.Pharmaceutical Research|April 23, 2005
In vitro and pharmacophore-based discovery of novel hPEPT1 inhibitorsSean Ekins, Jeffrey S Johnston, Praveen Bahadduri, et al.Pageof 36