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Computation, Volume 11, Issue 6

June 2023 - 18 articles

Cover Story: One of the most important applications of graph theory is the study of metabolic networks, i.e., those networks in which occurs the transformation of one or several molecules into one or several final products. In living organisms, metabolic network evolution is explained by assuming the independent evolution of the enzymes involved in the isolated biochemical reactions. In this paper, we present a simulation model in which enzymes, the real drivers of metabolism, are modeled as automata simulating their evolution with a genetic algorithm. The results obtained not only give clues about the evolution of metabolic pathways in organisms, but also introduce a new approach to simulating the evolution of other complex networks. View this paper
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Articles (18)

  • Feature Paper
  • Article
  • Open Access
1 Citations
1,573 Views
15 Pages
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Determination of Characteristics of Associative Storage Devices in Radio Telemetry Systems with Data Compression

  • Bulat-Batyr Yesmagambetov,
  • Akhmetbek Mussabekov,
  • Nurlybek Alymov,
  • Abdulkhak Apsemetov,
  • Madina Balabekova,
  • Kamil Kayumov,
  • Kuttybek Arystanbayev and
  • Aigul Imanbayeva
Computation2023, 11(6), 111;https://doi.org/10.3390/computation11060111

6 June 2023

In the radio telemetry systems of spacecraft, various data compression methods are used for data processing. When using any compression methods, the data obtained as a result of compression is formed randomly, and transmission over radio communicatio...

Full Article
  • Article
  • Open Access
4 Citations
3,350 Views
16 Pages
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Buckling Analysis of Laminated Stiffened Plates with Material Anisotropy Using the Rayleigh–Ritz Approach

  • Dimitrios G. Stamatelos and
  • George N. Labeas
Computation2023, 11(6), 110;https://doi.org/10.3390/computation11060110

30 May 2023

An energy-based solution for calculating the buckling loads of partially anisotropic stiffened plates is presented, such as antisymmetric cross-ply and angle-ply laminations. A discrete approach, for the mathematical modelling and formulations of the...

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  • Article
  • Open Access
1 Citations
4,228 Views
17 Pages
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Calculation of Linear Buckling Load for Frames Modeled with One-Finite-Element Beams and Columns

  • Javier Urruzola and
  • Iñaki Garmendia
Computation2023, 11(6), 109;https://doi.org/10.3390/computation11060109

30 May 2023

Critical linear buckling load calculation is one of the possible ways to check structural stability. Structural analysis programs usually model beams and columns with just one element, but this is not enough to obtain an accurate value of the critica...

Full Article
  • Article
  • Open Access
24 Citations
2,952 Views
18 Pages
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Application of DFT and TD-DFT on Langmuir Adsorption of Nitrogen and Sulfur Heterocycle Dopants on an Aluminum Surface Decorated with Magnesium and Silicon

  • Fatemeh Mollaamin and
  • Majid Monajjemi
Computation2023, 11(6), 108;https://doi.org/10.3390/computation11060108

29 May 2023

In this study, we investigated the abilities of nitrogen and sulfur heterocyclic carbenes of benzotriazole, 2-mercaptobenzothiazole, 8-hydroxyquinoline, and 3-amino-1,2,4-triazole-5-thiol regarding adsorption on an Al-Mg-Si alloy toward corrosion inh...

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  • Article
  • Open Access
1 Citations
4,252 Views
21 Pages
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Application of Graph Theory and Automata Modeling for the Study of the Evolution of Metabolic Pathways with Glycolysis and Krebs Cycle as Case Studies

  • Carlos De Las Morenas Mateos and
  • Rafael Lahoz-Beltra
Computation2023, 11(6), 107;https://doi.org/10.3390/computation11060107

28 May 2023

Today, graph theory represents one of the most important modeling techniques in biology. One of the most important applications is in the study of metabolic networks. During metabolism, a set of sequential biochemical reactions takes place, which con...

Full Article
  • Article
  • Open Access
2 Citations
1,613 Views
12 Pages
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Addressing the Folding of Intermolecular Springs in Particle Simulations: Fixed Image Convention

  • Aristotelis P. Sgouros and
  • Doros N. Theodorou
Computation2023, 11(6), 106;https://doi.org/10.3390/computation11060106

26 May 2023

Mesoscopic simulations of long polymer chains and soft matter systems are conducted routinely in the literature in order to assess the long-lived relaxation processes manifested in these systems. Coarse-grained chains are, however, prone to unphysica...

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  • Article
  • Open Access
2 Citations
3,030 Views
12 Pages
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CrohnDB: A Web Database for Expression Profiling of Protein-Coding and Long Non-Coding RNA Genes in Crohn Disease

  • Rebecca Distefano,
  • Mirolyuba Ilieva,
  • Jens Hedelund Madsen and
  • Shizuka Uchida
Computation2023, 11(6), 105;https://doi.org/10.3390/computation11060105

24 May 2023

Crohn disease (CD) is a type of inflammatory bowel disease that causes inflammation in the digestive tract. Cases of CD are increasing worldwide, calling for more research to elucidate the pathogenesis of CD. For this purpose, the usage of the RNA-se...

Full Article
  • Article
  • Open Access
18 Citations
4,025 Views
17 Pages
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Explainable Ensemble-Based Machine Learning Models for Detecting the Presence of Cirrhosis in Hepatitis C Patients

  • Abrar Alotaibi,
  • Lujain Alnajrani,
  • Nawal Alsheikh,
  • Alhatoon Alanazy,
  • Salam Alshammasi,
  • Meshael Almusairii,
  • Shoog Alrassan and
  • Aisha Alansari
Computation2023, 11(6), 104;https://doi.org/10.3390/computation11060104

23 May 2023

Hepatitis C is a liver infection caused by a virus, which results in mild to severe inflammation of the liver. Over many years, hepatitis C gradually damages the liver, often leading to permanent scarring, known as cirrhosis. Patients sometimes have...

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