The article "GPU-accelerated atom and dynamic bond visualization using hyperballs: A unified algorithm for balls, sticks, and hyperboloids" is now online at the Journal of Computational Chemistry website (see abstract below). There is a dedicated website about all things HyperBall, comprising some background information, a picture and movie gallery and download links: http://hyperballs.sourceforge.net.Read more...
In our paper "GPU-powered tools boost molecular visualization" we have an overview table with molecular visualization tools and methods that benefit from current GPU technology. You can now access an enhanced electronic version of this table with illustrations, software download links and videos to watch describing the methods. Check it out at http://www.baaden.ibpc.fr/projects/fvnano/gputools/.
New paper out: X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel
General anaesthetics have enjoyed long and widespread use but their molecular mechanism of action remains poorly understood. There is good evidence that their principal targets are pentameric ligand-gated ion channels1, 2 (pLGICs) such as inhibitory GABAA (γ-aminobutyric acid) receptors and excitatory nicotinic acetylcholine receptors, which are respectively potentiated and inhibited by general anaesthetics. The bacterial homologue from Gloeobacter violaceus3 (GLIC), whose X-ray structure was recently solved4, 5, is also sensitive to clinical concentrations of general anaesthetics6. Here we describe the crystal structures of the complexes propofol/GLIC and desflurane/GLIC.Read more...