The Jain lab focuses on computational chemistry and computational biology. The primary research areas are in structure-based drug discovery, rational approaches for predictive pharmacology, and applications involved in cancer. Researchers at academic and non-profit institutions are encouraged to download and make use of our software.
The Shoichet lab seeks to bring chemical reagents to biology, combining computation and experiment. In a protein-centric approach, molecular docking, they discover new ligands that complement protein structures. Using a ligand-centric approach, they discover new targets for known drugs and reagents.
Recognizing that the elements of life are at angstrom-scale, the Douglas lab aims to create the computational building blocks for a new generation of therapies and devices.
The Sirota lab develops incremental computational methods in the context of disease diagnostics and therapeutics – especially leveraging ‘omics and clinical data to better understand the role of the immune system.
In classical pharmacology, drugs struck single notes, where one drug would hit one target to treat one disease. But drugs frequently modulate entire target “chords” at once, and this can be essential to their action. The Keiser lab is decoding this molecular music, both in terms of new and useful chords for the treatment of complex diseases, and also to identify the jarring notes that existing drugs unintentionally hit when they induce side effects. Michael is also uncovering the biological roots of Alzheimer’s disease.
The Butte lab builds tools in translational bioinformatics to make sense of big ‘omics and clinical data and solve new classes of problems in Oncology.
