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cs.HC2024★ 5 cited
Measuring the limit of perception of bond stiffness of interactive molecules in VR via a gamified psychophysics experiment
Rhoslyn Roebuck Williams, Jonathan Barnoud, Luis Toledo +2
Molecular dynamics (MD) simulations provide crucial insight into molecular interactions and biomolecular function. With interactive MD simulations in VR (iMD-VR), chemists can now…
cs.LG2024★ 1 cited
AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems
Mohamed Dhouioui, Jonathan Barnoud, Rhoslyn Roebuck Williams +3
Molecular dynamics (MD) simulations are a crucial computational tool for researchers to understand and engineer molecular structure and function in areas such as drug discovery, pr…