MOHAMAD ZULKEFLEE SABRI¹, JOANNA BOJARSKA², FAI-CHU WONG^3,4, TSUN-THAI CHAI^3,4,*

BIOCELL, Vol.47, No.8, pp. 1727-1742, 2023, DOI:10.32604/biocell.2023.029272

Abstract Molecular dynamics (MD) simulation is a computational technique that analyzes the movement of a system of particles over a given period. MD can provide detailed information about the fluctuations and conformational changes of biomolecules at the atomic level over time. In recent years, MD has been widely applied to the discovery of peptides and peptide-like molecules that may serve as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) inhibitors. This review summarizes recent advances in such explorations, focusing on four protein targets: angiotensin-converting enzyme 2 (ACE2), spike protein (S protein), main protease (M^pro), and papain-like protease (PL^pro). These four proteins are… More > Graphic Abstract

Pavel Trojovský^*, Mohammad Dehghani

CMES-Computer Modeling in Engineering & Sciences, Vol.137, No.2, pp. 1695-1730, 2023, DOI:10.32604/cmes.2023.028314

Abstract This paper introduces a new metaheuristic algorithm called Migration Algorithm (MA), which is helpful in solving optimization problems. The fundamental inspiration of MA is the process of human migration, which aims to improve job, educational, economic, and living conditions, and so on. The mathematical modeling of the proposed MA is presented in two phases to empower the proposed approach in exploration and exploitation during the search process. In the exploration phase, the algorithm population is updated based on the simulation of choosing the migration destination among the available options. In the exploitation phase, the algorithm population is updated based on… More >

QIAO ZHOU^2,3,4, JIAN LIU^1,2,*, LING XIN¹, YANYAN FANG^1,2, LEI WAN^1,2, DAN HUANG^1,2, JIANTING WEN^1,2

BIOCELL, Vol.47, No.7, pp. 1623-1643, 2023, DOI:10.32604/biocell.2023.028331

Abstract Objective: On the basis of data mining, systematic pharmacology, molecular docking, and experiment validation, the oxidative-inflammatory molecular targets of Coicis Semen in the therapy of osteoarthritis (OA) were explored. Methods: The association rule analysis was effectively applied to highlight the correlation between Coicis Semen and oxidative inflammation indices. The random walk model was subsequently used to evaluate the clinical efficacy of Coicis Semen. Network pharmacology was used to predict network targets. The binding affinity of the active ingredient in Coicis Semen to the key target of OA was also successfully predicted. Results: Coicis Semen showed a significant reduction in oxidative-inflammatory… More >

F.C.C. Almeida^a , P.M. da Silva^b,c, M.N.C. Coelho Pinheiro^a,d,*

Frontiers in Heat and Mass Transfer, Vol.12, pp. 1-9, 2019, DOI:10.5098/hmt.12.16

Abstract In the last decades, polymeric systems were essayed and applied successfully as vehicles for transdermal delivery devices of active principles. Applications in contraception, pain control, and smoking cessation are already frequent. A crucial aspect in the development of new formulations is the maintenance of the therapeutic drug concentration range for long periods. Recognizing this topic as interesting and challenging, simple models to describe drug release from a transdermal device were developed with the purpose to perform a parametric sensitivity analysis. Assuming drug diffusion within the polymeric delivery system as the dominant mechanism the models were developed and implemented. Transdermal patches… More >

Musaed Alrashidi^*

Computer Systems Science and Engineering, Vol.47, No.1, pp. 491-513, 2023, DOI:10.32604/csse.2023.038628

Abstract Statistical distributions are used to model wind speed, and the two-parameters Weibull distribution has proven its effectiveness at characterizing wind speed. Accurate estimation of Weibull parameters, the scale (c) and shape (k), is crucial in describing the actual wind speed data and evaluating the wind energy potential. Therefore, this study compares the most common conventional numerical (CN) estimation methods and the recent intelligent optimization algorithms (IOA) to show how precise estimation of c and k affects the wind energy resource assessments. In addition, this study conducts technical and economic feasibility studies for five sites in the northern part of Saudi… More >

Anne Ruas, Ha Pham, Laura Pinson

Revue Internationale de Géomatique, Vol.29, No.2, pp. 185-205, 2019, DOI:10.3166/rig.2019.00081

Abstract Many studies and research aim at better knowing phenomena such as pollution or climate. The fields of value representing these phenomena can be visualized on scientific visualization tools which do not have the richness of symbolization specific to the GIS, in particular for the georeferencing and for the representation of the vector objects describing the geographical context. The representation in raster on GIS is possible but limited. However, at the scientific level, it is important to be able to co-visualize the fields describing phenomena in their geographical context to better analyze them and make assumptions about the interactions between a… More >

Tareq Alhmiedat^1,2,*, Ashraf M. Marei^1,2, Saleh Albelwi^1,2, Anas Bushnag², Wassim Messoudi², Abdelrahman Osman Elfaki^2,*

CMES-Computer Modeling in Engineering & Sciences, Vol.136, No.3, pp. 2321-2344, 2023, DOI:10.32604/cmes.2023.025641

Abstract Agricultural projects in different parts of the world depend on underground water wells. Recently, there have been many unfortunate incidents in which children have died in abandoned underground wells. Providing topographical information for these wells is a prerequisite to protecting people from the dangers of falling into them, especially since most of these wells become buried over time. Many solutions have been developed recently, most with the aim of exploring these well areas. However, these systems suffer from several limitations, including high complexity, large size, or inefficiency. This paper focuses on the development of a smart exploration unit that is… More >

Biqian Cheng¹, Lulu Chen², Bo Yang^3,*

International Journal of Mental Health Promotion, Vol.25, No.4, pp. 595-611, 2023, DOI:10.32604/ijmhp.2023.027321

Abstract In order to explore the criminal psychological mechanism of burglars, this study adopts the qualitative research method of grounded theory to conduct in-depth interviews with 41 burglars in two prisons in Jiangxi Province, China. Nvivo 11.0 was used to code-construct and qualitatively analyze the interview content in order to refine the influencing factors and psychological evolution process of burglary behavior. The findings revealed that (1) burglary risk factors include burglary cognition, burglary motivation, burglary decision-making, delinquent peers, burglary opportunity, and incomplete reformation. (2) There are three stages in the psychological evolution process of burglars: cognitive formation, motivational dominance, and behavioral… More > Graphic Abstract

Pavel Trojovský^1,*, Mohammad Dehghani¹, Eva Trojovská¹, Eva Milkova²

CMES-Computer Modeling in Engineering & Sciences, Vol.136, No.2, pp. 1527-1573, 2023, DOI:10.32604/cmes.2023.025908

Abstract In this paper, based on the concept of the NFL theorem, that there is no unique algorithm that has the best performance for all optimization problems, a new human-based metaheuristic algorithm called Language Education Optimization (LEO) is introduced, which is used to solve optimization problems. LEO is inspired by the foreign language education process in which a language teacher trains the students of language schools in the desired language skills and rules. LEO is mathematically modeled in three phases: (i) students selecting their teacher, (ii) students learning from each other, and (iii) individual practice, considering exploration in local search and… More > Graphic Abstract

Hadi Givi^1,*, Marie Hubálovská²

CMC-Computers, Materials & Continua, Vol.74, No.3, pp. 5283-5300, 2023, DOI:10.32604/cmc.2023.034695

Abstract Metaheuristic algorithms are one of the most widely used stochastic approaches in solving optimization problems. In this paper, a new metaheuristic algorithm entitled Billiards Optimization Algorithm (BOA) is proposed and designed to be used in optimization applications. The fundamental inspiration in BOA design is the behavior of the players and the rules of the billiards game. Various steps of BOA are described and then its mathematical model is thoroughly explained. The efficiency of BOA in dealing with optimization problems is evaluated through optimizing twenty-three standard benchmark functions of different types including unimodal, high-dimensional multimodal, and fixed-dimensional multimodal functions. In order… More >