Molecular visualization techniques have been used in drug discovery to facilitate understanding of ligand binding sites and structural components of macromolecules. Structural biologists, medicinal chemists, and bioengineers rely heavily on 2D interfaces for visualization and analysis of their research. Virtual reality (VR) adds an additional dimension of visualization and interaction for unique insights. We have developed a new interface for viewing, manipulating, and modifying chemical and protein structures in a fully immersive and collaborative 3D environment. Users can then selectively focus on one part of the molecular structure, modify its representation, scale the area of interest, or alter the molecular structure by mutating residues or adding chemical groups. The system utilizes virtual reality, enabling a unique way to view structures and engage in productive discussions. It also gives each participant the autonomy to explore, modify, and manipulate structures individually or in a collaborative session across the U.S. or in a global group setting. The goal is to reduce the time required to thoroughly understand the spatial and structural nuances of a protein complex and gain a better understanding of the drug-target binding modes to provide insights for further drug design and modification.

Nanome: Next generation molecular visualization, collaboration, and design

2019 Fall National Meeting

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