Dr. Marc Baaden, Chargé de recherche de 1ère classe, Institut de Biologie Physico-Chimique, Paris

Interactive Molecular Graphics: Seeing and Touching Molecules in Motion
Computational biology greatly benefits from approaches such as molecular dynamics simulations to study complex molecular assemblies. In this context, interactive visualization, manipulation and analysis aids hypothesis generation and exploration of large datasets. Integration of experimental data (SAXS, CryoEM, ..) in this modeling process is challenging. I will illustrate these issues via interactive simulations using the BioSpring and HireRNA simulation engines as well as molecular dynamics simulations of membrane proteins [1].

To tackle the corresponding visualization challenges, my group recently developed the UnityMol framework [2], based on the Unity3D game engine. A particular focus lies on interactive exploration and manipulation
using tools such as haptic devices or the LeapMotion controller. Possible display platforms are mobile devices, desktop workstations, display walls and virtual reality setups (CAVE, workbench,..).

[1] Dreher et al., ExaViz: a Flexible Framework to Analyse, Steer and Interact with Molecular Dynamics Simulations, Faraday Discussion #169, 2014

[2] 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)