Multiscale mechanical consequences of ocean acidification for cold-water corals by Uwe Wolfram, Marta Peña Fernández, Samuel McPhee, Ewan Smith, Rainer J. Beck, Jonathan D. Shephard, Ali Ozel, Craig S. Erskine, Janina Büscher, Jürgen Titschack, J. Murray Roberts, Sebastian J. Hennige

“…The mechanism underpinning crumbling and collapse of corals can be described via a combination of laboratory-scale experiments and mathematical and computational models. We synthesise data from electron back-scatter diffraction, micro-computed tomography, and micromechanical experiments, supplemented by molecular dynamics and continuum micromechanics simulations to predict failure of coral structures under increasing porosity and dissolution. …”
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Identifying SM-miRNA associations based on layer attention graph convolutional network and matrix decomposition by Jie Ni, Xiaolong Cheng, Tongguang Ni, Jiuzhen Liang

“…Given that traditional methods for predicting SM-miRNA associations are time-consuming and arduous, a number of computational models have been proposed to anticipate the potential SM–miRNA associations. …”
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Synthetic short-chain peptide analogues of H1 relaxin lack affinity for the RXFP1 receptor and relaxin-like bioactivity. Clues to a better understanding of relaxin agonist design by Annunziata D'Ercole, Annunziata D'Ercole, Silvia Nistri, Lorenzo Pacini, Lorenzo Pacini, Alfonso Carotenuto, Federica Santoro, Anna Maria Papini, Anna Maria Papini, Ross A. D. Bathgate, Daniele Bani, Paolo Rovero, Paolo Rovero

“…In this study, by a computational modelling chemistry approach, we have synthesized and tested a set of low molecular weight peptides based on the putative receptor-binding domain of the B chain of human H1 RLX isoform, with the objective to obtain RLX analogues with improved pharmacokinetic features. …”
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Development of an integrated socio-hydrological modeling framework for assessing the impacts of shelter location arrangement and human behaviors on flood evacuation processes by E. Du, F. Wu, H. Jiang, N. Guo, Y. Tian, C. Zheng, C. Zheng

“…<p>In many flood-prone areas, it is essential for emergency responders to use advanced computer models to assess flood risk and develop informed flood evacuation plans. …”
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Evaluating the Performance of Mobile-Convolutional Neural Networks for Spatial and Temporal Human Action Recognition Analysis by Stavros N. Moutsis, Konstantinos A. Tsintotas, Ioannis Kansizoglou, Antonios Gasteratos

“…In particular, we examine how these mobile-oriented CNNs (viz., ShuffleNet-v2, EfficientNet-b0, MobileNet-v3, and GhostNet) execute in spatial analysis compared to a recent tiny ViT, namely EVA-02-Ti, and a higher computational model, ResNet-50. Our models, previously trained on ImageNet and BU101, are measured for their classification accuracy on HMDB51, UCF101, and six classes of the NTU dataset. …”
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Surface-Enhanced Spatially Offset Raman Spectroscopy in Tissue by Dayle Kotturi, Sureyya Paterson, Mike McShane

“…Here we investigate how the intensity of the signal from SERS-active material varies spatially through tissue, both experimentally and in a computational model. Implant-sized, SERS-active hydrogel was placed under different thicknesses of contiguous tissue. …”
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Estimation of the Wind Load Required to Cause the Overturning of a Gantry Crane, Comparing Different Structures of the Main Horizontal Girder by Marcin Augustyn, Marek Barski

“…The experimental values of the aerodynamic forces were exploited to verify the 3D computational model of the studied structure. Numerical computations were carried out using the ANSYS Fluent 2022R2 system for both sectional models of the gantry crane mentioned above. …”
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Effects of Interregional Redistribution of Financial Resources: a General Equilibrium Approach by Artem Gennadevich Isaev

“…Therefore, the resulting change in welfare depends on multiple economic forces. Based on a computable model of general equilibrium with two regions, I assessed the effects of intergovernmental transfers for the Khabarovsk Krai’ economy. …”
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GSPHI: A novel deep learning model for predicting phage-host interactions via multiple biological information by Jie Pan, Wencai You, Xiaoliang Lu, Shiwei Wang, Zhuhong You, Yanmei Sun

“…Compared to conventional wet-lab experiments, computational models for predicting PHIs can not only save time and cost, but also be more efficient and economical. …”
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A model framework for simulating spatial hearing of bilateral cochlear implant users by Hu Hongmei, Ausili Sebastián A., Williges Ben, Klug Jonas, Felsheim Rebecca C., Vickers Deborah, Dietz Mathias

“…To help quantify the relative importance and inter-relationship between these factors, computer models can and arguably should be employed. While models exploring single stages are often in good agreement with selected experimental data, their combination often does not yield a comprehensive and accurate simulation of perception. …”
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Structural Analysis of Interactions between Epidermal Growth Factor Receptor (EGFR) Mutants and Their Inhibitors by Yingzhe Guo, Zeqian Du, Ting Shi

“…Here, we constructed four computational models to uncover the structural basis between EGFR mutants (SM and DM) and corresponding inhibitors (Gefitinib and Afatinib). …”
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Identification of Anti-TNFα VNAR Single Domain Antibodies from Whitespotted Bambooshark (<i>Chiloscyllium plagiosum</i>) by Linfei Zhao, Mingliang Chen, Xiaona Wang, Shoukai Kang, Weiwei Xue, Zengpeng Li

“…To understand the binding mechanism of VNARs to mTNFα, the models of VNARs-mTNFα complexes were predicted by computational modeling combining HawkDock and RosettaDock. …”
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Age differences in the neural representation of working memory revealed by multi-voxel pattern analysis. by Joshua eCarp, Leon eGmeindl, Patricia A Reuter-Lorenz

“…Working memory function declines across the lifespan. Computational models of aging attribute such memory impairments to reduced distinctiveness between neural representations of different mental states in old age, a phenomenon termed dedifferentiation. …”
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Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches by Faisal Bin Ashraf, Sanjida Akter, Sumona Hoque Mumu, Muhammad Usama Islam, Jasim Uddin

“…The ChEMBL and PubChem database contains experimental data from screening small molecules against SARS-CoV-2 3CLpro, which expands the opportunity to learn the pattern and design a computational model that can predict the potency of any drug compound against coronavirus before in-vitro and in-vivo testing. …”
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A Data-Science Approach for Creation of a Comprehensive Model to Assess the Impact of Mobile Technologies on Humans by Magdalena Garvanova, Ivan Garvanov, Vladimir Jotsov, Abdul Razaque, Bandar Alotaibi, Munif Alotaibi, Daniela Borissova

“…To solve this complex case, it is necessary to propose a comprehensive approach that combines and processes data obtained from different types of research and sources of information, such as thermal imaging, electroencephalograms, computer models, and surveys. In the present article, a complex model for the processing and analysis of heterogeneous data is proposed based on mathematical and statistical methods in order to study the problem of electromagnetic radiation from mobile devices in-depth. …”
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Isomerization of Asp7 in Beta-Amyloid Enhances Inhibition of the α7 Nicotinic Receptor and Promotes Neurotoxicity by Evgeny P. Barykin, Alexandra I. Garifulina, Elena V. Kruykova, Ekaterina N. Spirova, Anastasia A. Anashkina, Alexei A. Adzhubei, Irina V. Shelukhina, Igor E. Kasheverov, Vladimir A. Mitkevich, Sergey A. Kozin, Michael Hollmann, Victor I. Tsetlin, Alexander A. Makarov

“…These data indicate differences in the interaction of the peptides with the &#945;7nAChR, which we demonstrated using computer modeling. Neither A&#946; nor iso-A&#946; competed with ¹²⁵I-&#945;-bungarotoxin for binding to the orthosteric site of the receptor, suggesting the allosteric binging mode of the peptides. …”
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How Am I Driving? Using Genetic Programming to Generate Scoring Functions for Urban Driving Behavior by Roberto López, Luis Carlos González Gurrola, Leonardo Trujillo, Olanda Prieto, Graciela Ramírez, Antonio Posada, Perla Juárez-Smith, Leticia Méndez

“…Following this idea, in this paper we evaluate computational models that can score the behavior of a driver based on a risky-safety scale. …”
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The bar-hinge motor: a synthetic protein design exploiting conformational switching to achieve directional motility by Lara S R Small, Martin J Zuckermann, Richard B Sessions, Paul M G Curmi, Heiner Linke, Nancy R Forde, Elizabeth H C Bromley

“…Here, we employ a coarse-grained computational model for the BHM to assess the feasibility of a proposed experimental realization, with conformational switching regulated through the photoisomerization of peptide-bound azobenzene molecules. …”
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Physics guided heat source for quantitative prediction of IN718 laser additive manufacturing processes by Abdullah Al Amin, Yangfan Li, Ye Lu, Xiaoyu Xie, Zhengtao Gan, Satyajit Mojumder, Gregory J. Wagner, Wing Kam Liu

“…The parameters of the heat source of the computational model are initially calibrated based on a Higher Order Proper Generalized Decomposition- (HOPGD) based surrogate model. …”
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Computational prediction in the problem of stereo image identification by Marina V. Samoilenko, Vladimir A. Hachikian

“…The correctness and performance of the obtained relationships are confirmed by computer modeling. Limiting the size of the search area by means of calculated prediction of the uncertainty zone makes it possible to reduce the computational and time costs of the search procedure. …”
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