Computational Pharmaceutics

Abstract

While computer-aided drug design (or rational drug design) has been practised for half a century, the application of computational modeling to drug delivery and pharmaceutical formulations "computational pharmaceutics" has emerged only in recent years. In combination with existing branches of pharmaceutics, it offers rapidly growing potential for developing rational, deductive, and knowledge-based strategies in pharmaceutics. Thus, this discipline has emerged and grown enormously in importance. Exploiting the exponential growth in power of high performance computing systems, computational pharmaceutics has the ability to provide multiscale lenses to pharmaceutical scientists, revealing mechanistic details ranging across chemical reactions, small drug molecules, proteins, nucleic acids, nanoparticles, and powders to the human body. Show more