The Xu lab addresses unmet healthcare needs through the development of an innovative, multidisciplinary, and accelerated drug discovery platform that synergizes state-of-the-art experimental and computational technologies.

Wet Lab Research: Interdisciplinary Drug Discovery and Repurposing for the Ototoxicity Prevention and Hearing Loss Restoration.

We have developed novel computational approaches that leverage big data (clinical, gene expression, pharmacological, and molecular data) for high-throughput drug screening and repurposing. Combined with unbiased animal models and clinical trials, our state-of-the-art methods significantly improves drug screening efficiency, preclinical-to-clinical translatability, and as a result the likelihood of successful drug development programs. Our drug discovery pipeline is creating novel therapeutics that will prevent or restore hearing loss that affects 15% Americans and 500 million people worldwide.

Dry Lab Research: Software Development of the ezCADD Web Drug Discovery Platform

State-of-the-art computational methods are being implemented into the ezCADD web drug discovery platform, designed to empower non-computational biomedical researchers around the world. ezCADD delivers a rapid, rich, smooth, dynamic, and desktop-like WYSIWYG ("what you see is what you get") modeling experience using a web browser with jobs completed within the human interactive time scale (seconds to minutes). Key features include web-based 2D/3D molecular visualization, structure-based and ligand-based drug design, molecular docking, high-throughput virtual screening, cheminformatics, bioinformatics, homology modeling, molecular dynamics, free energy calculations, machine learning, AWS cloud computing support, etc.