eMD-VR, a tool for interactive MD simulations

As part of the interactive Ensemble-based Drug Design (iEBDD) project, we publised our eMD-VR tool that combines the power of ensemble-based molecular dynamics (eMD) with the intuitive interaction of Virtual Reality (VR) to enable users to interactively generate realistic descriptions of large amplitude, millisecond timescale protein conformational changes in proteins.

I made this picture to be used as a graphical abstract for the publication and for dissemination of the work. I used Blender and Chimera.

You can read more here.