160 citations · 340 across the 5 of their papers we have counts for
5 papers
Free energy along drug-protein binding pathways interactively sampled in virtual reality
Helen M. Deeks, Kirill Zinovjev, Jonathan Barnoud +3
We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological pro…
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
Helen M. Deeks, Rebecca K. Walters, Stephanie R. Hare +3
Simulating drug binding and unbinding is a challenge, as the rugged energy landscapes that separate bound and unbound states require extensive sampling that consumes significant co…
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
Michael O'Connor, Simon J. Bennie, Helen M. Deeks +7
As molecular scientists have made progress in their ability to engineer nano-scale molecular structure, we are facing new challenges in our ability to engineer molecular dynamics (…
Somatic Practices for Understanding Real, Imagined, and Virtual Realities
Lisa May Thomas, Helen M. Deeks, Alex J. Jones +2
In most VR experiences, the visual sense dominates other modes of sensory input, encouraging non-visual senses to respond as if the visual were real. The simulated visual world thu…
Sampling molecular conformations and dynamics in a multi-user virtual reality framework
Michael O Connor, Helen M. Deeks, Edward Dawn +10
We describe a framework for interactive molecular dynamics in a multiuser virtual reality environment, combining rigorous cloud-mounted physical atomistic simulation with commodity…