Design of inhibitors of Ras-Raf interaction using a computational combinatorial algorithm

Drugs that inhibit important protein–protein interactionsare hard to find either by screening or rational design, atleast so far. Most drugs on the market that target proteinstoday are therefore aimed at well-defined binding pockets inproteins. While computer-aided design is widely used to facilitatethe drug discovery process for binding pockets, its applicationto the design of inhibitors that target the protein surfaceinitially seems to be limited because of the increased complexityof the task. Previously, we had started to develop a computationalcombinatorial design approach based on the well-known `multiplecopy simultaneous search' (MCSS) procedure to tackle this problem.In order to identify sequence patterns of potential inhibitorpeptides, a three-step procedure is employed: first, using MCSS,the locations of specific functional groups on the protein surfaceare identified; second, after constructing the peptide mainchain based on the location of favorite locations of N-methylacetamidegroups, functional groups corresponding to amino acid side chainsare selected and connected to the main chain C     

The Solution of the Problem of Scattering by a Body of Revolution with a Generatrix Having a Piecewise Analytical Shape by the Hybrid Method. The Axial Incidence

Journal of Communications Technology and Electronics - The problem of scattering of a plane electromagnetic wave incident on a circular perfectly conducting cylinder along its axis is considered....     

MOORA models based on new score function of interval-valued intuitionistic sets and apply to select materials for mushroom cultivation

Neural Computing and Applications - Interval-valued intuitionistic fuzzy numbers (IVIFNs) were proposed by Atanassov since the 1980s. They have been applied to many practical problems. One of the...     

A New Strategy for Short-Term Stock Investment Using Bayesian Approach

Computational Economics - In this paper, an application of the Bayesian classifier for short-term stock trend prediction is presented. In order to use Bayesian classifier effectively, we transform...     

Portfolio Correlations in the Bank-Firm Credit Market of Japan

Computational Economics - The recent global financial crisis has shown portfolio correlations between agents as one of the major channels of risk contagion and amplification. In this work, we...     

A new image classification method using interval texture feature and improved Bayesian classifier

Multimedia Tools and Applications - In this paper, a novel technique for image classification is proposed with the three main contributions. First, we give the texture extraction technique for each...     

Scattering of a Plane Wave by a Cylinder with a Piecewise Analytical Form of the Section

Journal of Communications Technology and Electronics - The problem of scattering of a plane electromagnetic wave by a perfectly conducting cylinder is considered. The cross-section of the cylinder...     

Photocatalytic Disinfection of E. coli Using Silver-Doped TiO2 Coated on Cylindrical Cordierite Honeycomb Monolith Photoreactor Under Artificial Sunlight Irradiation

In this paper, TiO₂ and Ag-doped TiO₂ photocatalysts were coated on the cylindrical cordierite honeycomb monolith (CHM) to evaluate their photocatalytic disinfection against Escherichia coli (E. coli) bacteria under artificial sunlight irradiation. The X-ray diffraction (XRD) patterns showed a single-phase anatase structure for TiO₂ samples calcined at 500 °C for 2 h. With the presence of Ag, the bandgap of TiO₂ becomes narrower, and the absorption edge shifts toward the visible region. 6 mol% Ag-doped TiO₂ (6Ag-T) showed a reduction of bandgap energy to 2.2 eV. TiO₂ and Ag-doped TiO₂ solutions were prepared and coated on the channels’ surface of CHM for antibacterial applications. Although monolithic TiO₂ caused a slight decrease in the number of alive E. coli, Ag dopant showed significant improvement in antibacterial properties. 6 mol% Ag-doped TiO₂ coated on CHM (6Ag-T/S10/M) showed strong antibacterial effectiveness against E. coli that the bacterial cell concentration dropped to zero after 1 h of exposure. Impressively, reusability tests with these materials showed superior performance, where the antibacterial remains unchanged after five or seven successive operation cycles.

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