Sean Ekins
- Dual use of artificial-intelligence-powered drug discovery
2022/03/07 by Fabio Urbina, Filippa Lentzos, Cédric Invernizzi +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Materials Science
- Cross-reactivity of steroid hormone immunoassays: clinical significance and two-dimensional molecular similarity prediction
2014/07/14 by Matthew D. Krasowski, Denny Drees, Cory Morris +3 · 2 citations
Medicine · Biochemistry, Genetics and Molecular Biology · #Hormonal and reproductive studies #Sexual Differentiation and Disorders #Estrogen and related hormone effects
- Halogen Substitution Influences Ketamine Metabolism by Cytochrome P450 2B6: In Vitro and Computational Approaches
2018/12/27 by Pan‐Fen Wang, Alicia Neiner, Thomas R. Lane +3 · 2 citations
Medicine · Pharmacology, Toxicology and Pharmaceutics · Computer Science · #Treatment of Major Depression #Pharmacogenetics and Drug Metabolism #Computational Drug Discovery Methods
- Efficacy of Tilorone Dihydrochloride against Ebola Virus Infection
2017/11/13 by Sean Ekins, Mary A. Lingerfelt, Jason E. Comer +7 · 2 citations
Medicine · #Viral Infections and Outbreaks Research #Viral Infections and Vectors #Hepatitis B Virus Studies
- Remdesivir and EIDD-1931 Interact with Human Equilibrative Nucleoside Transporters 1 and 2: Implications for Reaching SARS-CoV-2 Viral Sanctuary Sites
2021/09/09 by Siennah R. Miller, Meghan E. McGrath, Kimberley M. Zorn +3 · 21 citations
Biochemistry, Genetics and Molecular Biology · Medicine · #2019-20 coronavirus outbreak #Adenosine and Purinergic Signaling #Biology #Coronavirus disease 2019 (COVID-19) #Gene #Genetics #Infectious Encephalopathies and Encephalitis #Medicine #Neonatal Health and Biochemistry #Nucleoside #Nucleoside transporter #Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) #Transporter #Virology
- Time for Cooperation in Health Economics among the Modelling Community
2010/06/02 by Renée J.G. Arnold, Sean Ekins · 1 citation
Economics, Econometrics and Finance · Health Professions · #Health Systems, Economic Evaluations, Quality of Life #Healthcare cost, quality, practices #Pharmaceutical Economics and Policy
- Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis
2010/09/08 by Sean Ekins, Takushi Kaneko, Christopher A. Lipinski +10 · 1 citation
Chemistry · Computer Science · Medicine · #Biochemistry #Bioinformatics #Biology #Cheminformatics #Chemistry #Combinatorial chemistry #Computational Drug Discovery Methods #Computational biology #Drug discovery #Gene #In vitro #Lipinski's rule of five #Medicine #Molecular descriptor #Mycobacterium tuberculosis #Quantitative structure–activity relationship #Small molecule #Stereochemistry #Synthesis and biological activity #Tuberculosis #Tuberculosis Research and Epidemiology
- Meta-analysis of molecular property patterns and filtering of public datasets of antimalarial “hits” and drugs
2010/01/01 by Sean Ekins, Antony Williams · 1 citation
Computer Science · Medicine · Pharmacology, Toxicology and Pharmaceutics · #Bioinformatics #Biology #Computational Drug Discovery Methods #Computational biology #Computer science #Drug #Drug discovery #Immunology #Malaria #Medicine #Mycobacterium tuberculosis #Pharmacogenetics and Drug Metabolism #Pharmacology #Tuberculosis #Tuberculosis Research and Epidemiology
- Using cheminformatics to predict cross reactivity of “designer drugs” to their currently available immunoassays
2014/05/10 by Matthew D. Krasowski, Sean Ekins · 1 citation
Pharmacology, Toxicology and Pharmaceutics · Psychology · Neuroscience · #Forensic Toxicology and Drug Analysis #Psychedelics and Drug Studies #Neurotransmitter Receptor Influence on Behavior