iMD-VR for flexible protein-ligand docking
NARUPA Rachel Freire NARUPA Rachel Freire

iMD-VR for flexible protein-ligand docking

We’ve just published a paper describing the use of interactive molecular dynamics in virtual reality (iMD-VR) for carrying out flexible protein-ligand docking, demonstrated through experiments carried out docking drug molecules into the binding pockets of trypsin, neuraminidase, and HIV-1 protease.

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Narupa: open-source beta exectuble
OPEN ACCESS, OPEN SOURCE, NARUPA Rachel Freire OPEN ACCESS, OPEN SOURCE, NARUPA Rachel Freire

Narupa: open-source beta exectuble

We’ve just published an open access article (arxiv.1902.01827) describing Narupa, our open-source multi-person iMD-VR (interactive molecular dynamics in virtual reality) framework. To go along with the article, we’ve published a stable beta executable of Narupa, available at irl.itch.io/narupaxr.

The executable is effectively a build of the source at gitlab.com/intangiblerealities. If you want to set up your own multi-participant VR lab, instructions are available here.

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