Computational assessment of the entropy of solvation of small-sized hydrophobic entities.

A high level polarizable force field is used to study the temperature dependence of hydrophobic hydration of small-sized molecules from computer simulations. Molecular dynamics (MD) simulations of liquid water at various temperatures form the basis of free energy perturbation calculations that consider the onset and growth of a repulsive sphere. This repulsive sphere acts as a model construct for the hydrophobic species.

New trends in the virtualization of hospitals--tools for global e-Health.

The development of virtual hospitals and digital medicine helps to bridge the digital divide between different regions of the world and enables equal access to high-level medical care. Pre-operative planning, intra-operative navigation and minimally-invasive surgery require a digital and virtual environment supporting the perception of the physician. As data and computing resources in a virtual hospital are distributed over many sites the concept of the Grid should be integrated with other communication networks and platforms.

Virtual hospital and digital medicine--why is the GRID needed?

The promise of telemedicine to enable equal access to high-level medical care can only be realised by the development of virtual hospitals, digital medicine and a bridging of the digital divide between the various regions of the world. For this, the concept of the Grid should be integrated with other communication networks and platforms. A promising approach is the implementation of service-oriented architectures for an invisible grid, hiding complexity for both application developers and end-users.