Published in Journal of Cheminformatics
Root mean square displacement (RMSD) calculations play a fundamental role in the comparison of different conformers of the same ligand. This is particularly important in the evaluation of protein-ligand docking, where different ligand poses are generated by docking software and their quality is usually assessed by RMSD calculations. Unfortunately, ...
We call pattern any non-constant stable solution of a semilinear elliptic equation with Neumann boundary conditions. A classical theorem of Casten, Holland [19] and Matano [49] states that stable patterns do not exist in convex domains. In this article, we show that the assumptions of convexity of the domain and stability of the pattern in this the...
Multivariate Lagrange and Hermite interpolation are examples of ideal interpolation. The interpolation problem is defined by a set of linear forms, on the polynomial ring, whose kernels intersect into an ideal. Another class of examples thus arises when the linear forms are defined by the normal forms modulo an ideal. For an ideal interpolation pro...
Published in Neuroscience research
Using high resolution spectral methods to uncover neuromarkers of social, cognitive and behavioral function, we have found that hemi-lateralized pairs of oscillations such as left and right occipital alpha or left and right rolandic mu dissociate spectrally. That is, they show a shifted frequency distribution, with one member of the pair peaking at...
Published in Resonance
In this article we discuss the maximum principle and it’s application to the study of symmetry of solutions of nonlinear partial differential equations, which was one of the main research topics of Louis Nirenberg. The central question in symmetry that we discuss is the following if a domain Ω ⊂ ℝN and the given boundary data on ∂Ω have some symmet...
Published in BMC Ophthalmology
BackgroundAssessment of interobserver reproducibility and interocular symmetry using optical coherence tomography (OCT)–based measurements of the macular ganglion cell complex (GCC) in healthy children facilitates interpretation of OCT data. We assessed the interobserver reproducibility and interocular symmetry of GCC and evaluated candidate determ...
The aim of this study was to examine whether there are kinematic and kinetic differences in the lower limb and whether the symmetry of the lower extremities is different after prolonged-running. Fifteen healthy male amateur runners (age: 22 ± / 1 years, height: 173 ± / 8 cm, mass: 65 ± / 7 kg, BMI: 21.62 ± / 2 kg/m2) were re...
This paper investigates the impact on visual attention of a symmetrical versus an asymmetrical arrangement on the front of pack (FOP) of FMCGs. The authors conducted a laboratory experiment using an eye-tracking method. Two FOPs were designed for each product category (orange juice, chocolate bars, pasta and biscuits). In one version the informatio...
Published in Journal of physics. Condensed matter : an Institute of Physics journal
Dispersion-corrected density functional theory was used to investigate structures consisting of a stanene layer sandwiched between atomically-thin boron nitride and graphene. The parameters controlling the mirror symmetry, lattice rotation and stacking sequences were varied systematically to generate fifteen candidate trilayers. Two types of struct...
Published in Zeitschrift fur Gerontologie und Geriatrie
For older persons walking is a basic activity of daily life which characterizes the person's functional mobility. Therefore, the improvement of walking performance is a major clinical outcome during geriatric rehabilitation. Furthermore, walking performance is relevant for several geriatric research issues. Quantitative gait analysis can describe w...
