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The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more effective next generation drugs. We have combined VR visualization with fast algorithms for simulating intramolecular motions of protein flexibility, in an effort to further improve structure-led drug design by exposing molecular interactions that might be hidden in the less informative static models.

Sun 15 Jul 2018, 21:16 | Tags: Research

Is Gravity a Quantum Force?

A new proposal could be the first to test if gravity is quantum.

Tue 29 May 2018, 11:04 | Tags: Research

We construct a class of two-dimensional (2D) phosphorus allotropes by assembling a previously proposed ultrathin metastable phosphorus nanotube into planar structures in different stacking orientations. Three of them are dynamically stable semiconductors with strain-tunable band gaps and intrinsic piezoelectricity. This may have potential applications in nanosized sensors, piezotronics, and energy harvesting in portable electronic nanodevices.

Mon 30 Apr 2018, 15:52 | Tags: Research

Towards optimal experimental tests on the reality of the quantum state

The New Journal of Physics has selected George Knee's paper "Towards optimal experimental tests on the reality of the quantum state" (DOI:) as one of their , recognising high-quality publications which have been well-received by the community.

Thu 26 Apr 2018, 16:56 | Tags: Research

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