Molecular Modelling to Support Drug Formulation for Small Molecule and Biologic Drugs

Speaker

John C. Shelley
Fellow

Complementary use of machine learning and physics-based modeling contribute to the drug development and formulation process
Molecular modelling provides a basic understanding of the structure and behaviour of drugs as formulated that compliments experimental data and informs decision making in drug formulation
API and excipient physical and chemical property prediction for small molecule drug formulations
Characterization of drug-drug and drug-excipient association including drug-polymer interactions in small molecule and biologics formulations
Provide structural insights into concentrated protein solutions and predict viscosity, aggregation, and the effect of excipients