Molecular Cornerstones

Creative, Science-based Drug Design Service Provider 1. Computational chemistry and molecular modeling support, including structure-based design, virtual library enumeration and prioritization, virtual screening, and ligand-based design 2. Planning and/or review of medicinal chemistry target design strategy 3. Leveraging chemoinformatics and other computational tools for Structure Activity Relationship (SAR) analyses of historical, on-going and external data, to help improve activity during the hit to lead phase and multi-parameter (PK/ADME) optimization during the lead optimization phase 4. Specialized Protein-Protein Interaction (PPI) inhibitor work, including protein-protein docking, hot-spot predictions, cryptic pocket identification and assessment, and fragment-based discovery 5. Strategic input on biophysical, biochemical and biological characterization of compounds of interest and mechanisms of action 6. Management of contract resources