ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations.

The amount of data generated by molecular dynamics simulations of large molecular assemblies and the sheer size and complexity of the systems studied call for new ways to analyse, steer and interact with such calculations. Traditionally, the analysis is performed off-line once the huge amount of simulation results have been saved to disks, thereby stressing the supercomputer I/O systems, and making it increasingly difficult to handle post-processing and analysis from the scientist's office. The ExaViz framework is an alternative approach developed to couple the simulation with analysis tools to process the data as close as possible to their source of creation, saving a reduced, more manageable and pre-processed data set to disk.

GPU-accelerated atom and dynamic bond visualization using hyperballs: a unified algorithm for balls, sticks, and hyperboloids.

Ray casting on graphics processing units (GPUs) opens new possibilities for molecular visualization. We describe the implementation and calculation of diverse molecular representations such as licorice, ball-and-stick, space-filling van der Waals spheres, and approximated solvent-accessible surfaces using GPUs. We introduce HyperBalls, an improved ball-and-stick representation replacing tubes, linking the atom spheres by hyperboloids that can smoothly connect them.

Binary mesh partitioning for cache-efficient visualization.

One important bottleneck when visualizing large data sets is the data transfer between processor and memory. Cache-aware (CA) and cache-oblivious (CO) algorithms take into consideration the memory hierarchy to design cache efficient algorithms. CO approaches have the advantage to adapt to unknown and varying memory hierarchies.

Comparison of polycyclic aromatic hydrocarbon levels in mussels and oysters in France and the United States.

This paper compares data of 15 individual polycyclic aromatic hydrocarbon (PAH) concentrations from two monitoring programs: the French Rdseau National d'Observation de la qualité du milieu marin (RNO) and the Mussel Watch project of the U.S. National Status and Trends (NST) program.

[Myasthenia gravis and elderly persons. A case study].

Introduction: Myasthenia gravis is an uncommon autoimmune disease which affects all ages. There are late-onset occurrences whose diagnosis is not considered often enough in geriatrics.

Exegesis: We report a case of late-onset myasthenia gravis with a 78-year-old woman who was multi-pathologic and hospitalized for a diplopia check-up and recurrent falls.