Purpose The traditional drug development process is costly, time consuming and risky. Using computational methods to discover drug repositioning opportunities is a promising and efficient strategy in the era of big data. The explosive growth of large-scale genomic, phenotypic data and all kinds...

Each organization has limited resources and in order to better accomplish a higher external demand, the managers are forced to outsource parts of their contracts even to concurrent organizations. In this concurrent environment each organization wants to preserve its decision autonomy and to...

The most stable structures for the adsorption and dissociation of phosphine (PH3) on SiGe(100) (2 × 1) surface have been investigated by relative total energy calculations based on density functional theory. According to the optimization calculations, PH3 is adsorbed on the Si (down) and Ge...

Three different approaches to modelling fast laser-induced phase transformations in Si are analyzed in the paper: the classical Stefan problem, a non-equilibrium model in which the Jackson–Chalmers response function is used at the interface, and a kinetic approach, in which both the nucleation...

We use a lattice-Boltzmann (LB) kinetic scheme for modelling amphiphilic mixtures to impose Couette flow on self-assembled gyroid mesophase. We report evidence of non-Newtonian behaviour (“shear thinning”) and we show that the particular lack of inversion symmetry which characterizes the...