Comprehensive Computational Models of Polymeric Nanoparticles for Drug Delivery

William Payne, Ohio Supercomputer Center

Usage Details

Developing computational tools to aid in the rational design of polymeric drug delivery systems could dramatically improve the therapeutic outcome of many diseases, especially cancer. The enhanced pharmacokinetic profile obtained through nano-formulation provides higher accumulation in target sites and decreased comorbidities. Payne will use Blue Waters to develop a library of computational models for amphiphilic polysaccharide nanoparticles. This library will enable formulation optimization for a wide variety of drugs. Upon validating these models experimentally, the developed toolset will be used to optimize the formulation of an anticancer chemotherapeutic.