Software

  • ezTarget (aka TargetSearch)
    An Integrative Cross-Database Web Service for Drug Discovery, Drug Re-purposing, and Drug Safety Research.

  • ezCADD
    A Rapid 2D/3D Visualization Enabled Web Modeling Environment for Democratizing Computer-Aided Drug Design.
    ezSMDock: Small-Molecule Docking
    ezPPDock: Protein-Protein Docking
    ezPocket: Binding Site Detection
    ezHTVS: High-Throughput Virtual Screening
    ezGrow: de Novo Lead Optimization
    ezLigPlot: 2D/3D Protein-Ligand Interactions Visualizer
    ezPocketSearch:
    Drug Target and Polypharmacology Identification

  • Serotonin Expanded Bioactivity Matrix (SEBM)
    Citation:
    Culbertson VL, Rahman S,  Bosen GC, Caylor ML, Echevarria MM, Xu D*, Implications of Off-Target Serotonergic Drug Effects - A Bioinformatics Molecular Analysis of Serotonin Syndrome Reports. Pharmacotherapy, 38(9), 888–898, 2018. https://doi.org/10.1002/phar.2163
  • ezFAERS
    Encoding FDA Adverse Event Reporting System with Drug Identifiers for Improved Data Quality and Query Performance.
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