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Current Topics in Medicinal Chemistry|August 14, 2015
Novel HIV-1 Integrase Inhibitor Development by Virtual Screening Based on QSAR ModelsLaura Guasch, Alexey V Zakharov, Olga A Tarasova, et al.Journal of Cheminformatics|December 9, 2025
SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding styleStefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, et al.Journal of the American Chemical Society|January 15, 2004
Experimental and structural evidence that herpes 1 kinase and cellular DNA polymerase(s) discriminate on the basis of sugar puckerVictor E Marquez, Tsipi Ben-Kasus, Joseph J Barchi, et al.ACS Medicinal Chemistry Letters|March 18, 2016
Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300Jonathan H Shrimp, Alexander W Sorum, Julie M Garlick, et al.Future Medicinal Chemistry|October 24, 2012
Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and softwareMegan L Peach, Alexey V Zakharov, Ruifeng Liu, et al.European Journal of Pharmaceutical Sciences : Official Journal of the European Federation for Pharmaceutical Sciences|October 18, 2017
Synthesis, anti-cancer screening and tyrosyl-DNA phosphodiesterase 1 (Tdp1) inhibition activity of novel piperidinyl sulfamidesJung Ho Jun, Vineet Kumar, Thomas S Dexheimer, et al.Journal of Chemical Information and Modeling|June 6, 2015
QSAR Modeling Using Large-Scale Databases: Case Study for HIV-1 Reverse Transcriptase InhibitorsOlga A Tarasova, Aleksandra F Urusova, Dmitry A Filimonov, et al.Medchemcomm|January 17, 2019
Probing the hras-1Y i-motif with small moleculesSara N Journey, Stephanie L Alden, Will M Hewitt, et al.Frontiers in Oncology|May 14, 2023
Virtual screening of ultra-large chemical libraries identifies cell-permeable small-molecule inhibitors of a "non-druggable" target, STAT3 N-terminal domainPedro Andrade Bonilla, Cody L Hoop, Karen Stefanisko, et al.Journal of Medicinal Chemistry|September 17, 2004
Conformationally constrained analogues of diacylglycerol (DAG). 23. Hydrophobic ligand-protein interactions versus ligand-lipid interactions of DAG-lactones with protein kinase C (PK-C)Hirokazu Tamamura, Dina M Sigano, Nancy E Lewin, et al.Pageof 10