BioExcel Webinar #30 - Immersive visual exploration of biomolecular systems in virtual reality – from static views to interactive dynamics

Abstract

For several years now, my team pursues the goal to study complex molecular assemblies through interactive visualization, manipulation and analysis approaches to aid hypothesis generation and exploration of complex datasets. The UnityMol framework [1] forms a central tool for these investigations and is based on the Unity3D game engine. A first line of research tries to help with the 3D context, for instance through content-guided navigation, exploded views and semantic links between molecular objects and their analysis data [2]. Concerning the molecular representations, we extended the UnityMol repertoire to include specific visualizations for sugar molecules [3] and have now also included coarse-grained systems by default. These are particularly apt for interactive simulations, even in the classroom or via crowdsourcing. A particular focus lies on the integration of dedicated hardware such as large, high-resolution display walls, or more recently head-mounted virtual reality headsets or augmented reality setups. [1] Lv et al., Game on, Science – how video game technology may help biologists tackle visualization challenges, PLoS ONE 8(3):e57990, 2013 (http://unitymol.sourceforge.net) [2] Trellet et al., Interactive Visual Analytics of Molecular Data in Immersive Environments via a Semantic Definition of the Content and the Context, IEEE VR 2016/VR 2016 Workshop on Immersive Analytics [3] Perez et al., Three-Dimensional Representations of Complex Carbohydrates and Polysaccharides. SweetUnityMol: A Video Game Based Computer Graphic Software, Glycobiology 25, 2015, 483-491; doi: 10.1093/glycob/cwu133