Drug Design

Inside Molecules

Often perceived as more art than science, ¡°Drug Design¡± the graphical representation of molecular structures strongly inspires the development of drug therapies.

Molecular models make visible a world otherwise invisible to the naked eye. They enable and facilitate our understanding of the molecular world. Based on these graphical models, a chemist can identify potential drug binding sites on the surface of a protein, understand molecular interactions between a drug molecule and its "target", and design novel drugs that will eventually become medical therapies.

Any model represents only parts of the true nature of things. Therefore, it is helpful to consider multiple models and graphical representations simultaneously. Visualizing three-dimensional objects on a computer screen by creating the illusion of three-dimensionality has certain limitations. Here, holographic models provide a potential solution. At the ETH Zurich Pavilion in Davos during the 2019 World Economic Forum, we present the MOLEGRAM Scientist for the holographic visualization of this exciting molecular nanoworld.

The MOLEGRAM Scientist provides a fresh view on molecules to both experts and non-experts alike. The user can fully submerge him or herself into the topic by physically circling and investigating the hologram of a protein structure. In the Computer-Assisted Drug Design practical class at ETH Zurich, the participants use this application to examine and interact with a protein and learn the influence of different solvents on the protein structure.

The application, designed for a 15-minute usage, includes an introductory movie on the Hololens hardware. The MOLEGRAM Scientist enables collaborative learning by providing a real-time synchronized view of the hologram to all participants. A shared pointer allows the instructor to focus the participants¡¯ awareness on certain areas of the protein.

We invite you to discover the holographic molecular world with us!