User as a bitter tastant: Immersive experience within the binding region of a bitter taste receptor

Tommy Dang, Anuththara Lokubandara, Ngan N.V. Nguyen, Peter C. Lai, Vinh T. Nguyen, Chiquito Crasto

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

This paper describes the development of a Virtual Reality (VR) system to obtain mechanistic insights into receptor-ligand interactions from the perspective of a bitter taste. The system allows a human-user to "become" the tastant-ligand and interact with the bitter taste receptor in its binding region. Computational models of 15 bitter taste receptors were developed. Each model provides a comprehensive view of the varied structural and functional features of the bitter taste receptor. The user can obtain a view of the receptor protein model at a) the atomic level; b) the secondary structure; and, c) the surface. The system can be accessed by using a VR headset as well as through touch controllers. Users can navigate among and compare 3D models of the selected receptors, while also experiencing environmental feedback. The implications of such a study are critical to the field of drug-design in the clinical-pharmaceutical industry. Five domain-expert scientists and clinicians evaluated the usability of the VR system. Our work also represents an important educational tool.

Original languageEnglish
Title of host publication19th International Conference on Modeling and Applied Simulation, MAS 2020
EditorsAgostino G. Bruzzone, Fabio De Felice, Marina Massei, Adriano Solis
PublisherDime University of Genoa
Pages146-153
Number of pages8
ISBN (Electronic)9788885741492
DOIs
StatePublished - 2020
Event19th International Conference on Modeling and Applied Simulation, MAS 2020 - Virtual, Online
Duration: Sep 16 2020Sep 18 2020

Publication series

Name19th International Conference on Modeling and Applied Simulation, MAS 2020

Conference

Conference19th International Conference on Modeling and Applied Simulation, MAS 2020
CityVirtual, Online
Period09/16/2009/18/20

Keywords

  • Biology
  • Bitter tastant
  • Molecules
  • Oculus rift
  • Virtual reality

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