Indiana Biosciences Research Institute enables drug discovery using CDD Vault and Schrodinger LiveDesign
The Indiana Biosciences Research Institute (IBRI), a translational research center focused on diabetes, Alzheimer's disease, and pediatric rare diseases, needed an efficient drug-discovery informatics platform to manage complex, multi-partner data, since (per Dr. Mary Mader) "Excel spreadsheets aren't scalable" for sharing data across partners and departments. IBRI deployed CDD Vault (Collaborative Drug Discovery) for compound registration, data storage, and visualization, integrated with Schrodinger's LiveDesign for computational modeling, SAR analysis, and 3D molecular modeling, letting researchers work across the full Design-Make-Test-Analyze cycle without switching tools. The case study describes qualitative benefits -- a centralized "single version of the truth," eliminated manual data transfers, and consistent team visualization -- but provides no specific numerical metrics on how much the integration accelerated discovery.
Schrödinger is a physics-plus-machine-learning computational platform for molecular design; all top-20 pharma companies by revenue are customers of its drug-discovery software.
This sits in the Build stage of the AI use-case lifecycle: Named examples from the foundation-model labs and platforms pharma teams use to actually construct, train and generate the model or application.
Published by Schrödinger on its own site — read the original case study on schrodinger.com ↗
Related use cases
- 01Hit to development candidate in 10 months: Rapid discovery of SGR-1505, a novel, potent MALT1 inhibitor
- 02Design of a highly selective, allosteric, picomolar TYK2 inhibitor using novel FEP+ strategies
- 03Design of a novel, potent CDC7 inhibitor development candidate with high ligand efficiency and optimized properties
- 04Discovery of a novel, potent ACC inhibitor driven by computationally-guided design and assessment of water energetics in the binding site
- 05High precision, computationally-guided discovery of highly selective Wee1 inhibitors for the treatment of solid tumors
- 06Morphic Therapeutic leverages digital chemistry strategy to design a novel small molecule inhibitor of α4β7 integrin