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8341
Multiscale mechanical consequences of ocean acidification for cold-water corals
Published 2022-05-01“…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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8342
Identifying SM-miRNA associations based on layer attention graph convolutional network and matrix decomposition
Published 2022-11-01“…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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8343
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
Published 2022-08-01“…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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8344
Development of an integrated socio-hydrological modeling framework for assessing the impacts of shelter location arrangement and human behaviors on flood evacuation processes
Published 2023-04-01“…<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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8345
Evaluating the Performance of Mobile-Convolutional Neural Networks for Spatial and Temporal Human Action Recognition Analysis
Published 2023-12-01“…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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8346
Surface-Enhanced Spatially Offset Raman Spectroscopy in Tissue
Published 2024-02-01“…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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8347
Estimation of the Wind Load Required to Cause the Overturning of a Gantry Crane, Comparing Different Structures of the Main Horizontal Girder
Published 2024-01-01“…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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8348
Effects of Interregional Redistribution of Financial Resources: a General Equilibrium Approach
Published 2019-06-01“…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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8349
GSPHI: A novel deep learning model for predicting phage-host interactions via multiple biological information
Published 2023-01-01“…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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8350
A model framework for simulating spatial hearing of bilateral cochlear implant users
Published 2023-01-01“…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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8351
Structural Analysis of Interactions between Epidermal Growth Factor Receptor (EGFR) Mutants and Their Inhibitors
Published 2023-03-01“…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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8352
Identification of Anti-TNFα VNAR Single Domain Antibodies from Whitespotted Bambooshark (<i>Chiloscyllium plagiosum</i>)
Published 2022-04-01“…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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8353
Age differences in the neural representation of working memory revealed by multi-voxel pattern analysis.
Published 2010-11-01“…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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8354
Bio-activity prediction of drug candidate compounds targeting SARS-Cov-2 using machine learning approaches
Published 2023-01-01“…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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8355
A Data-Science Approach for Creation of a Comprehensive Model to Assess the Impact of Mobile Technologies on Humans
Published 2023-03-01“…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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8356
Isomerization of Asp7 in Beta-Amyloid Enhances Inhibition of the α7 Nicotinic Receptor and Promotes Neurotoxicity
Published 2019-07-01“…These data indicate differences in the interaction of the peptides with the α7nAChR, which we demonstrated using computer modeling. Neither Aβ nor iso-Aβ competed with <sup>125</sup>I-α-bungarotoxin for binding to the orthosteric site of the receptor, suggesting the allosteric binging mode of the peptides. …”
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8357
How Am I Driving? Using Genetic Programming to Generate Scoring Functions for Urban Driving Behavior
Published 2018-04-01“…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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8358
The bar-hinge motor: a synthetic protein design exploiting conformational switching to achieve directional motility
Published 2019-01-01“…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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8359
Physics guided heat source for quantitative prediction of IN718 laser additive manufacturing processes
Published 2024-02-01“…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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8360
Computational prediction in the problem of stereo image identification
Published 2024-02-01“…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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