Software

  • 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
    ezLigPlot
    : 2D/3D Visualization of Protein-Ligand Interactions
    ezHTVS:
    High-Throughput Virtual Screening
    ezGrow: de Novo Lead Optimization
    ezTargetSearch: An Integrative Cross-Database Molecule Search Engine for Drug Discovery, Drug Re-purposing, and Drug Safety Research. (ezTargetSearch is now an ezCADD app, supersedes the previous text-based TargetSearch)
    ezPocketSearch: Drug Target and Polypharmacology Identification 
    ezFAERS:
    Drug Repurposing using FDA Adverse Event Reporting System (FAERS)

  • Download ezFAERS - Cleaned and Encoded FDA Adverse Event Reporting System (FAERS) Drug Data

  • 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
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