The importance of faster drug development has never been more evident than in present time when the whole world is struggling to cope up with the COVID-19 pandemic. At times when timely development of effective drugs and treatment plans could potentially save millions of lives, drug repurposing is one area of medicine that has garnered much of research interest. Apart from experimental drug repurposing studies that happen within wet labs, lot many new quantitative methods have been proposed in the literature.

Motivation: Binary (or Boolean) matrices provide a common effective data representation adopted in several domains of computational biology, especially for investigating cancer and other human diseases. For instance, they are used to summarize genetic aberrations--copy number alterations or mutations--observed in cancer patient cohorts, effectively highlighting combinatorial relations among them. One of these is the tendency for two or more genes not to be co-mutated in the same sample or patient, i.e. a mutual-exclusivity trend.

This work analyzes trajectories obtained by YOLO and DeepSORT algorithms of dense emulsion systems simulated via lattice Boltzmann methods. The results indicate that the individual droplet's moving direction is influenced more by the droplets immediately behind it than the droplets in front of it. The analysis also provide hints on constraints of a dynamical model of droplets for the dense emulsion in narrow channels.

A mathematical model of the galvanic iron corrosion is, here, presented. The iron(III)-hydroxide formation is considered together with the redox reaction. The PDE system, assembled on the basis of the fundamental holding electro-chemistry laws, is numerically solved by a locally refined FD method. For verification purpose we have assembled an experimental galvanic cell; in the present work, we report two tests cases, with acidic and neutral electrolitical solution, where the computed electric potential compares well with the measured experimental one

By varying the oil volume fraction, the microscopic droplet size and the macroscopic rheology of emulsions are investigated in a Taylor-Couette turbulent shear flow. Although here oil and water in the emulsions have almost the same physical properties (density and viscosity), unexpectedly, we find that oil-in-water (O/W) and water-in-oil (W/O) emulsions have very distinct hydrodynamic behaviours, i.e. the system is clearly asymmetric. By looking at the micro-scales, the average droplet diameter hardly changes with the oil volume fraction for O/W or for W/O.

The effects of transverse gravity on steady flow past a split plate are investigated, by adopting the wake model proposed in the preceding paper (I). The existence and uniqueness of the solution as well as the convergence of an iteration process involving the free streamlines are proved for large Froude numbers by means of the Banach contraction mapping principle using Lipschitz norms. © 1986 Birkhäuser Verlag.

The molecular programs involved in regulatory T (Treg) cell activation and homeostasis remain incompletely understood. Here, we show that T cell receptor (TCR) signaling in Treg cells induces the nuclear translocation of serine/threonine kinase 4 (Stk4), leading to the formation of an Stk4-NF-?B p65-Foxp3 complex that regulates Foxp3- and p65-dependent transcriptional programs. This complex was stabilized by Stk4-dependent phosphorylation of Foxp3 on serine-418.

The capability to simulate a two-way coupled interaction between a rarefied gas and an arbitrary-shaped colloidal particle is important for many practical applications, such as aerospace engineering, lung drug delivery, and semiconductor manufacturing. By means of numerical simulations based on the direct-simulation Monte Carlo (DSMC) method, we investigate the influence of the orientation of the particle and rarefaction on the drag and lift coefficients, in the case of prolate and oblate ellipsoidal particles immersed in a uniform ambient flow.

Summary: ADViSELipidomics is a novel Shiny app for preprocessing, analyzing and visualizing lipidomics data. It handles the outputs from LipidSearch and LIQUID for lipid identification and quantification and the data from the Metabolomics Workbench. ADViSELipidomics extracts information by parsing lipid species (using LIPID MAPS classification) and, together with information available on the samples, performs several exploratory and statistical analyses.