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Computation, Volume 12, Issue 12

December 2024 - 20 articles

Cover Story: Quantum mechanics/molecular mechanics (QM/MM) umbrella sampling molecular dynamics (MD) simulations give us an important clue about the transition states of chemical reactions and their free energy levels. By applying this method to the chiral-selective aminoacylation of an RNA minihelix (primitive form of tRNA), we elucidated, for the first time, the “flowing” atomistic mechanisms of the reaction and showed that the left-handed amino acid (L-alanine) moiety stabilizes the transition state more than the right-handed amino acid (D-alanine), resulting in L-alanine preference in the aminoacylation reaction in the RNA. Our results provided an important clue to the origin of “homochirality”, in which proteins in biological systems are composed exclusively of left-handed amino acids. View this paper
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Articles (20)

  • Article
  • Open Access
2 Citations
1,742 Views
15 Pages

23 December 2024

This study addresses the accessibility challenges faced by individuals with visual impairments due to limited access to graphic information, which significantly impacts their educational and social integration. Traditional methods for producing tacti...

  • Article
  • Open Access
6 Citations
6,416 Views
19 Pages

Development of Blockchain Technology in Financial Accounting

  • Olha Prokopenko,
  • Artem Koldovskiy,
  • Marina Khalilova,
  • Aigul Orazbayeva and
  • José Machado

23 December 2024

This study investigates the transformative potential of blockchain technology in financial accounting by examining its applications, challenges, and implications. The study begins with a review of blockchain’s origins and its ability to address...

  • Case Report
  • Open Access
1 Citations
1,079 Views
18 Pages

23 December 2024

One of the issues in Natural Language Processing (NLP) and Artificial Intelligence (AI) is language representation and modeling, aiming to manage its structure and find solutions to linguistic issues. With the pursuit of the most efficient capture of...

  • Article
  • Open Access
2 Citations
2,704 Views
21 Pages

Additive Manufacturing Gyroid Structures Used as Crash Energy Management

  • Horacio Rostro-González,
  • Guillermo Reyes-Pozo,
  • Josep Maria Puigoriol-Forcada,
  • Francisco-José López-Valdés,
  • Sriharsha Srinivas Sundarram and
  • Andres-Amador Garcia-Granada

19 December 2024

Gyroid-like structures are promising in terms of energy absorption levels. Due to additive manufacturing, they can now be manufactured and verified for different functions. In this article, it has been proven that a Gyroid manufactured by FDM using P...

  • Article
  • Open Access
4 Citations
3,579 Views
21 Pages

18 December 2024

Energy efficiency has become a crucial focus with the growing attention on sustainable development and decreasing energy consumption in the built environment. Different construction methods are being applied worldwide, such as conventional, modular,...

  • Article
  • Open Access
1,366 Views
12 Pages

17 December 2024

In this work, we investigate the transition from regular dynamics to chaotic behavior in a one-dimensional quartic anharmonic classical oscillator driven by a time-dependent external square-wave force. Owing to energy conservation, the motion of an u...

  • Article
  • Open Access
9 Citations
1,182 Views
18 Pages

A Novel Megastable Chaotic System with Hidden Attractors and Its Parameter Estimation Using the Sparrow Search Algorithm

  • Atefeh Ahmadi,
  • Vijeesh Vijayan,
  • Hayder Natiq,
  • Alexander N. Pchelintsev,
  • Karthikeyan Rajagopal and
  • Sajad Jafari

15 December 2024

This work proposes a new two-dimensional dynamical system with complete nonlinearity. This system inherits its nonlinearity from trigonometric and hyperbolic functions like sine, cosine, and hyperbolic sine functions. This system gives birth to infin...

  • Article
  • Open Access
1 Citations
2,117 Views
36 Pages

Inventory Model for Instantaneously Deteriorating Items with Multiple Trade Facilities, Stock- and Price-Dependent Demand, and Full Backlogging

  • Rabeya Sarker,
  • Md. Sharif Uddin,
  • Md Abu Helal,
  • Aminur Rahman Khan,
  • Ali AlArjani and
  • El-Awady Attia

12 December 2024

This paper formulates six inventory models for products with instantaneous deterioration, focusing on the impacts of full and partial advance payment structures. The demand function depends on both price and stock levels and accounts for shortages th...

  • Article
  • Open Access
4 Citations
1,302 Views
16 Pages

11 December 2024

The third-order pseudoparabolic equations represent models of filtration, the movement of moisture and salts in soils, heat and mass transfer, etc. Such non-classical equations are often referred to as Sobolev-type equations. We consider an inverse p...

  • Article
  • Open Access
1 Citations
1,273 Views
19 Pages

5 December 2024

Excessive use of pesticides can lead to pesticide resistance in citrus psyllids, and studies have shown that this resistance is related to population genetics. This article proposes a dynamic model of Huanglongbing (HLB) that integrates the populatio...

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Computation - ISSN 2079-3197