Friday, July 06, 2018

Molecules in virtual Reality

Discovering new drugs and materials by ‘touching’ molecules in virtual reality

To figure out how to block a bacteria's attempt to create multi-resistance to antibiotics, a researcher grabs a ligand (a binding molecule) that simulates a type of penicillin called benzylpenicillin (red) and interactively guides that molecule to dock within another enzyme (blue-orange) molecule called beta-lactamase, which is produced by bacteria in an attempt to disable the penicillin (by making a patient resistant to a class of antibiotics called β-lactam). (credit: University of Bristol) 
Scientists can now visualize and experiment with structures and dynamics of complex molecular structures (at atomic-level precision), with real-time multi-user collaboration via the cloud
University of Bristol researchers have designed and tested a new virtual reality (VR) cloud-based system intended to allow researchers to reach out and “touch” molecules as they move — folding them, knotting them, plucking them, and changing their shape to test how the molecules interact. Using an HTC Vive virtual-reality device, it could lead to … more…
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