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Computation, Volume 13, Issue 9

2025 September - 24 articles

Cover Story: Novel inhibitors of the tyrosine kinase Zap70 are searched to improve treatments of lymphoid malignancies and autoimmune diseases. The natural product withaferin A (WFA) has been characterized as a covalent inhibitor of Zap70 capable of blocking migration of human T-cells. A panel of 12 withanolides equipped with a thiol-reactive α,β-unsaturated ketone were tested for their capacity to interact with Zap70. Withangulatin surpassed all the other withanolides for its ability to bind to the kinase and to form covalent complexes via bonding to the Cys346 residue close to the enzyme active site. The molecule revealed a satisfactory ADMET profile with no major toxicity anticipated. Withangulatin represents a potential hit to guide the design of Zap70 inhibitors. View this paper
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Articles (24)

  • Article
  • Open Access
786 Views
11 Pages

Equations of Motion and Navier–Stokes Equations

  • Dušan J. Simjanović,
  • Ivana Djurišić,
  • Aleksandra Penjišević,
  • Marko Stefanović and
  • Branislav M. Randjelović

19 September 2025

In this research, we present the analogies between variational calculations in cosmology and in classical mechanics. Our approach is based on the invariants for transformations of affine connections defined on N-dimensional manifolds (special cases a...

  • Article
  • Open Access
2 Citations
932 Views
15 Pages

Mining Scraper Conveyors Chain Drive System Lightweight Design: Based on DEM and Topology Optimization

  • Qiang Zhang,
  • Wei Liu,
  • Anhao Jia,
  • Shouji Sun,
  • Xin Li and
  • Xiangjun Song

17 September 2025

For the issue of excessive mass in the chain drive system of long-distance scraper conveyors, this paper proposes a method to optimize the scraper chains by integrating discrete element simulation (DEM) with topological optimization. The aim is to re...

  • Editorial
  • Open Access
1 Citations
2,345 Views
7 Pages

16 September 2025

This brief editorial introduces the Special Issue “Computational Methods in Structural Engineering”. This Special Issue brings together recent advances in computational approaches—including finite element modeling, machine learning...

  • Article
  • Open Access
903 Views
19 Pages

15 September 2025

This paper presents a study aiming to provide insight into the complex flow and heat transfer processes in the exhaust manifold of a four-stroke, compression ignition engine. An experimental system has been constructed capable of capturing temperatur...

  • Article
  • Open Access
6 Citations
3,689 Views
28 Pages

14 September 2025

Intrusion detection systems (IDSs) are critical for securing modern networks, particularly in IoT and IIoT environments where traditional defenses such as firewalls and encryption are insufficient against evolving cyber threats. This paper proposes a...

  • Article
  • Open Access
1,015 Views
42 Pages

Adaptive Neural Network System for Detecting Unauthorised Intrusions Based on Real-Time Traffic Analysis

  • Serhii Vladov,
  • Victoria Vysotska,
  • Vasyl Lytvyn,
  • Anatolii Komziuk,
  • Oleksandr Prokudin and
  • Andrii Ostapiuk

11 September 2025

This article solves the anomalies’ operational detection in the network traffic problem for cyber police units by developing an adaptive neural network platform combining a variational autoencoder with continuous stochastic dynamics of the late...

  • Article
  • Open Access
693 Views
18 Pages

A Method for Synthesizing Self-Checking Discrete Systems with Calculations Testing Based on Parity and Self-Duality of Calculated Functions

  • Dmitry V. Efanov,
  • Tatiana S. Pogodina,
  • Nazirjan M. Aripov,
  • Sunnatillo T. Boltayev,
  • Asadulla R. Azizov,
  • Elnara K. Ametova and
  • Zohid B. Toshboyev

11 September 2025

Calculations testing can be effectively used in the construction of discrete self-checking devices. Calculations testing is based on the parity and self-duality of the calculated functions. This can be used for modern blocks and nodes of control syst...

  • Article
  • Open Access
1,085 Views
37 Pages

9 September 2025

This study presents the Fourier–Gegenbauer integral Galerkin (FGIG) method, a new numerical framework that uniquely integrates Fourier series and Gegenbauer polynomials to solve the one-dimensional advection–diffusion (AD) equation with s...

  • Article
  • Open Access
1 Citations
731 Views
26 Pages

6 September 2025

Practical applications such as solar power energy systems, electronic cooling, and the convective drying of vented enclosures require continuous developments to enhance fluid and heat flow. Numerous studies have investigated the enhancement of heat t...

  • Review
  • Open Access
1 Citations
3,612 Views
32 Pages

5 September 2025

The rapid shift toward electric vehicles (EVs) has underscored the critical importance of battery pack crashworthiness, creating a demand for lightweight, energy-absorbing protective systems. This review systematically explores bio-inspired cellular...

  • Article
  • Open Access
2 Citations
1,534 Views
21 Pages

4 September 2025

Machine learning models and web-based tools have been developed for predicting key properties of imidazolium-based ionic liquids. Two high-quality datasets containing experimental density and viscosity values at 298 K were curated from the ILThermo d...

  • Article
  • Open Access
906 Views
17 Pages

4 September 2025

Elevated railways are a crucial component of railway lines, characterized by their widespread distribution, simple structure, and low cost, while actively promoting local economic development. However, they also cause significant ground vibrations wh...

  • Article
  • Open Access
2 Citations
1,436 Views
21 Pages

3 September 2025

One of the key components of the software quality model is reliability. Its importance has grown with the increasing use and reuse of open-source components in software development. Software reliability growth models are commonly employed to address...

  • Article
  • Open Access
1,150 Views
14 Pages

3 September 2025

Clustering techniques significantly enhance recommender systems by improving predictive accuracy and interpretability, particularly in sparse, high-dimensional datasets. This research presents a comprehensive comparative analysis of traditional clust...

  • Article
  • Open Access
3,851 Views
34 Pages

3 September 2025

Voronoi partitioning is a fundamental geometric concept with applications across computational geometry, robotics, optimization, and resource allocation. While Euclidean distance is the most commonly used metric, alternative distance functions can si...

  • Article
  • Open Access
1,256 Views
22 Pages

3 September 2025

Typically, dimension stones, commonly called stone blocks, are cut into multiple small cuboid stones so that multiple sculptures can be produced. To use the stone block as efficiently as possible, it is essential to pack these small cuboids in each s...

  • Article
  • Open Access
2 Citations
800 Views
15 Pages

1 September 2025

The dynamic contact problem describing collision of an elastic bar with a rigid obstacle, prescribed by an initial velocity, is considered in a variational formulation. The non-smooth, piecewise-linear solution is constructed analytically using parti...

  • Article
  • Open Access
840 Views
15 Pages

1 September 2025

Organic phase change materials (PCMs) are a useful and increasingly popular choice for thermal energy storage applications such as solar energy and building envelope thermal barriers. Buildings located in high-temperature locations are exposed to ext...

  • Article
  • Open Access
941 Views
16 Pages

Topology Optimization for Rudder Structures Considering Additive Manufacturing and Flutter Effects

  • Heng Zhang,
  • Shuaijie Shi,
  • Xiaohong Ding,
  • Jiandong Yang and
  • Min Xiong

1 September 2025

This paper presents a multi-constraint topology optimization strategy for rudder structures, integrating additive manufacturing (AM)-related overhang angle and flutter-performance considerations. To the best of our knowledge, this is the first study...

  • Article
  • Open Access
831 Views
15 Pages

1 September 2025

Aiming at the characteristics of limited actuation capability of the semi-active control system and strong nonlinearity of the hydro-pneumatic suspension, a constrained nonlinear control strategy of a semi-active hydro-pneumatic suspension system is...

  • Article
  • Open Access
871 Views
18 Pages

1 September 2025

Inhibitors of the tyrosine kinase Zap70 are actively searched to improve treatments of lymphoid malignancies and autoimmune diseases associated with an abnormal T-cell response. The natural product withaferin A (WFA) has been characterized as a coval...

  • Article
  • Open Access
753 Views
25 Pages

1 September 2025

Accurate trajectory control during atmospheric entry is critical for the success of Mars landing missions, where strong non-linearities and uncertain dynamics pose significant challenges to conventional control strategies. This study develops a compu...

  • Article
  • Open Access
1,506 Views
21 Pages

In this study, we formulate and analyze a deterministic mathematical model describing the transmission dynamics of pneumonia. A comprehensive stability analysis is conducted for both the disease-free and endemic equilibrium points. The disease-free e...

  • Article
  • Open Access
776 Views
22 Pages

SPL-Based Modeling of Serrated Airfoil Noise via Functional Regression and Ensemble Learning

  • Andrei-George Totu,
  • Daniel-Eugeniu Crunțeanu,
  • Luminița Drăgășanu,
  • Grigore Cican and
  • Constantin Levențiu

This study presents a semi-empirical approach to generalizing the acoustic radiation generated by serrated airfoil configurations, based on small-scale aerodynamic/acoustic experiments and functional regression techniques. In the context of passive n...

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Computation - ISSN 2079-3197