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Journal of Medicinal Chemistry|February 14, 2015
A binding mode hypothesis of tiagabine confirms liothyronine effect on γ-aminobutyric acid transporter 1 (GAT1)Andreas Jurik, Barbara Zdrazil, Marion Holy, et al.Journal of Cheminformatics|June 12, 2022
KNIME workflow for retrieving causal drug and protein interactions, building networks, and performing topological enrichment analysis demonstrated by a DILI case studyBarbara Füzi, Rahuman S Malik-Sheriff, Emma J Manners, et al.Bioorganic & Medicinal Chemistry Letters|February 24, 2009
Inhibitory activity of prostaglandin E2 production by the synthetic 2'-hydroxychalcone analogues: Synthesis and SAR studyThanh-Dao Tran, Haeil Park, Hyun Pyo Kim, et al.International Journal of Molecular Sciences|September 9, 2023
Structural Insights into Neonicotinoids and N-Unsubstituted Metabolites on Human nAChRs by Molecular Docking, Dynamics Simulations, and Calcium ImagingKarin Grillberger, Eike Cöllen, Claudia Immacolata Trivisani, et al.Molecular Pharmacology|February 21, 2002
Identification of ligand-binding regions of P-glycoprotein by activated-pharmacophore photoaffinity labeling and matrix-assisted laser desorption/ionization-time-of-flight mass spectrometryGerhard F Ecker, Edina Csaszar, Stephan Kopp, et al.Archiv Der Pharmazie|January 10, 2020
Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoproteinAnna Cseke, Theresa Schwarz, Sankalp Jain, et al.Journal of Medicinal Chemistry|June 25, 2011
Modulation of GABAA-receptors by honokiol and derivatives: subtype selectivity and structure-activity relationshipBarbara Taferner, Wolfgang Schuehly, Antje Huefner, et al.Journal of Biotechnology|May 30, 2006
A novel flow based hollow-fiber blood-brain barrier in vitro model with immortalised cell line PBMEC/C1-2Winfried Neuhaus, Regina Lauer, Silvester Oelzant, et al.Expert Opinion on Drug Metabolism & Toxicology|August 30, 2008
In silico prediction of substrate properties for ABC-multidrug transportersMichael A Demel, R Schwaha, O Krämer, et al.Journal of Chemical Theory and Computation|July 15, 2022
A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p<i>K</i><sub>a</sub> Predictions in ProteinsPedro B P S Reis, Marco Bertolini, Floriane Montanari, et al.Pageof 19