Discovery of Novel Inhibitors for Nek6 Protein through Homology Model Assisted Structure Based Virtual Screening and Molecular Docking Approaches by P. Srinivasan, P. Chella Perumal, A. Sudha

“…The overall quality of computed model showed 87.4% amino acid residues under the favored region. …”
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A simplified kinetic model for the tropospheric ozone cycle by J. K. Conceição, T. S. F. Alves, E. M. D. Moya, S. A. Pozza, D. S. Rodrigues

“… To better understand the dynamics of air pollutants, several mathematical or computational models have been developed and employed. Among the pollutants of interest are those related to the cycle of formation of tropospheric ozone (O3), which involve nitrogen oxides NOx. …”
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Resource Optimization Technology Using Genetic Algorithm in UAV-Assisted Edge Computing Environment by Huijuan Sun, Hongqi Xi

“…Then, a communication model and a computation model are constructed to minimize the total system energy consumption by jointly optimizing the UAV offloading ratio, user scheduling variables, and UAV trajectory. …”
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A dataset of blood slide images for AI-based diagnosis of malariaDataverse by Rose Nakasi, Joyce Nakatumba Nabende, Jeremy Francis Tusubira, Aloyzius Lubowa Bamundaga, Alfred Andama

“…The labelled image data can be used to build computational models implemented with convolution neural networks. …”
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Readiness for Perception and Action: Towards a More Mechanistic Understanding of Phasic Alertness by Christian H. Poth

“…As a result, the discussion provides us with a research program yielding the theoretical and empirical basis for mechanistic and computational models of phasic alertness and its neurophysiological underpinnings.…”
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Should I Stop Thinking About It: A Computational Exploration of Reappraisal Based Emotion Regulation by Mei Si

“…In this paper, we investigate computationally modeling people’s coping behaviors and in particular in relation to depression, in decision-theoretic agents. …”
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A Thermo-Hygro-Coupled Model for Chloride Penetration in Concrete Structures by Nattapong Damrongwiriyanupap, Suchart Limkatanyu, Yunping Xi

“…This paper presents a theoretical and computational model for chloride diffusion in concrete structures. …”
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Optimized convolutional neural network using African vulture optimization algorithm for the detection of exons by K. Jayasree, Malaya Kumar Hota

“…So, an efficient computational model is needed. Therefore, for the first time, we are introducing an optimized convolutional neural network (optCNN) for classifying the exons and introns. …”
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A Study on Wind Pressure Characteristics of a Large-Span Membrane Structure under the Fluctuating Wind in a Vertical Direction Based on a Large Eddy Simulation by Fangjin Sun, Haoxuan Tang, Mingjin Lu, Daming Zhang, Chen Lu

“…First, the membrane structure canopy is measured, and the model is established for numerical simulation. The computational models and methods are verified by comparing the obtained wind pressure distributions on the roof with the measured results and numerical simulation results under other methods. …”
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Merging metabolic modeling and imaging for screening therapeutic targets in colorectal cancer by Niki Tavakoli, Emma J. Fong, Abigail Coleman, Yu-Kai Huang, Mathias Bigger, Michael E. Doche, Seungil Kim, Heinz-Josef Lenz, Nicholas A. Graham, Paul Macklin, Stacey D. Finley, Shannon M. Mumenthaler

“…This process involved a novel machine learning-based method to computationally screen, in a high-throughput manner, the effects of enzyme perturbations predicted by a computational model of CRC metabolism. This approach reveals the network-wide effects of metabolic perturbations. …”
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Mechanisms Underlying Improvement in Obstructive Sleep Apnea Syndrome by Uvulopalatopharyngoplasty by Takahisa Yamamoto, Naoko Fujii, Yoichi Nishimura, Noboru Iwata, Seiichi Nakata

“…Anatomically accurate upper airway computational models were reconstructed from computed tomographic imaging data. …”
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Numerical Analysis of Turbulent Combustion in a Model Swirl Gas Turbine Combustor by Ali Cemal Benim, Sohail Iqbal, Franz Joos, Alexander Wiedermann

“…Here, the analysis is carried out for cases without external flue gas recirculation. The computational model is observed to provide a fair prediction of the experimental data and predict the increased flashback propensity of syngas.…”
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Tradeoffs in automated financial regulation of decentralized finance due to limits on mutable turing machines by Ben Charoenwong, Robert M. Kirby, Jonathan Reiter

“…By mapping regulatory requirements onto computational models, we characterize which types of automated compliance are achievable and which are provably impossible. …”
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Binary mixture convection in a horizontal channel under the Soret effect action by Stepanova Irina

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The use of human tissue surrogates in anatomical modeling for gunshot wounds simulations: an overview about “how to do” experimental terminal ballistics by Lucas Meciano Pereira dos Santos, Marcelo Rodrigues da Cunha, Carlos Henrique Bertoni Reis, Daniela Vieira Buchaim, Daniela Vieira Buchaim, Ana Paula Bernardes da Rosa, Leandro Moreira Tempest, José Augusto Parola da Cruz, Rogério Leone Buchaim, Rogério Leone Buchaim, João Paulo Mardegan Issa, João Paulo Mardegan Issa

“…The use of ballistic gelatin as a human soft tissue surrogate stands out, although other types of materials can be used, including polyurethane and polydimethylsiloxane in the simulation of bones and skin respectively, not to mention some computational models that completely replace the physical use of surrogate models for gunshot wound simulation. …”
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Modelling and Neuro-Adaptive Robust Control Algorithms for Solid Fuel Rockets by Christian Danner Ramos de Carvalho, João Viana da Fonseca Neto

“…The method involves mathematical and computational modelling, together with the design of adaptive controllers for stability and performance analysis. …”
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A multiscale model of the bone marrow and hematopoiesis by Ariosto Silva, Alexander R. A. Anderson, Robert Gatenby

“…Our goal is the development of a spatially-explicit in silico model of the bone marrow to understand both its normal function and the evolutionary dynamics that govern the emergence of bone marrow malignancy.Here we introduce a multiscale computational model of the bone marrow that incorporates three distinct spatial scales, cell, hematopoietic subunit, whole marrow.Our results, using parameter estimates from literature, recapitulates normal bone marrow function and suggest an explanation for the fractal-like structure of trabeculae and sinuses in the marrow, which would be an optimization of the hematopoietic function in order to maximize the number of mature blood cells produced daily within the volumetric restrictions of the marrow.…”
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Dialogue mechanisms between astrocytic and neuronal networks: A whole-brain modelling approach. by Obaï Bin Ka'b Ali, Alexandre Vidal, Christophe Grova, Habib Benali

“…Despite their importance, existing computational models of whole-brain activity ignore the roles of astrocytes while primarily focusing on neurons. …”
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Stress Analysis of a Class II MO-Restored Tooth Using a 3D CT-Based Finite Element Model by Yiu Pong Chan, Chak Yin Tang, Bo Gao

“…To build up a solid computational model of a tooth, a method has been proposed to construct a 3D model from 2D CT-scanned images. …”
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Identifying factors that contribute to collision avoidance behaviours while walking in a natural environment by Mohammadamin Nikmanesh, Michael E. Cinelli, Daniel S. Marigold

“…Our results highlight both similarities and differences with lab-based behaviour and offer insights relevant to developing accurate computational models for realistic pedestrian movement.…”
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