Modeling Early Stages of Bone and Joint Infections Dynamics in Humans: A Multi-Agent, Multi-System Based Model by Salma Alsassa, Salma Alsassa, Thomas Lefèvre, Thomas Lefèvre, Vincent Laugier, Eric Stindel, Eric Stindel, Séverine Ansart, Séverine Ansart

“…The objectives of this study were (i) to perform a systematic review to identify relevant interactions between agents (cells, pathogens) and parameters values that characterize agents and interactions, and (ii) to develop a two dimensional computational model of the BJI system based on the results of the systematic review. …”
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High spatial resolution artificial vision inferred from the spiking output of retinal ganglion cells stimulated by optogenetic and electrical means by Andreea Elena Cojocaru, Andrea Corna, Miriam Reh, Günther Zeck

“…In this article, we compared the spatial resolution inferred ex vivo under ideal conditions using a computational model analysis of the retinal ganglion cell (RGC) spiking activity. …”
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Morphological changes in tibial tunnels after anatomic anterior cruciate ligament reconstruction with hamstring tendon graft by Tomoki Ohori, Tatsuo Mae, Konsei Shino, Yuta Tachibana, Kazuomi Sugamoto, Hideki Yoshikawa, Ken Nakata

“…The ATB ACL reconstruction with a semitendinosus tendon autograft was performed. 3D computer models of the tibia and the three tibial tunnels were reconstructed from CT data obtained 3 weeks and 1 year after surgery. …”
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Identification of an inflammation-associated psychosis onset subgroup by applying unsupervised machine learning to whole-blood expression levels of immune gene transcripts by Paolo Enrico, Giuseppe Delvecchio, Nunzio Turtulici, Rosario Aronica, Alessandro Pigoni, Letizia Squarcina, Filippo M. Villa, Cinzia Perlini, Maria G. Rossetti, Marcella Bellani, Antonio Lasalvia, Chiara Bonetto, Paolo Scocco, Armando D'Agostino, Stefano Torresani, Massimiliano Imbesi, Francesca Bellini, Angelo Veronese, Luisella Bocchio-Chiavetto, Massimo Gennarelli, Matteo Balestrieri, Gualtiero I. Colombo, Annamaria Finardi, Mirella Ruggeri, Roberto Furlan, Paolo Brambilla

“…Here we explored the existence of subgroups of patients affected by first episode psychosis (FEP) with a possible immunopathogenic basis.To do this, we designed a computational model that use unsupervised machine learning to cluster a sample of 127 FEP patients and 117 healthy controls (HC), based on the peripheral blood concentrations of 12 immune gene transcripts which demonstrated to classify with high accuracy between FEP patients and healthy subjects in a previous study [3]. …”
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Effects of glucose and lactate on Streptococcus mutans abundance in a novel multispecies oral biofilm model by Jay S. Sangha, Paul Barrett, Thomas P. Curtis, Aline Métris, Nicholas S. Jakubovics, Irina D. Ofiteru

“…Furthermore, we established an experimental system that can support the development of computational models to predict transitions to microbial dysbiosis based on metabolic interactions.IMPORTANCEWe developed a controlled (by removing host factor) dynamic system metabolically representative of early colonization of Streptococcus mutans not measurable in vivo. …”
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APETx-Like Peptides from the Sea Anemone <i>Heteractis crispa</i>, Diverse in Their Effect on ASIC1a and ASIC3 Ion Channels by Rimma S. Kalina, Sergey G. Koshelev, Elena A. Zelepuga, Natalia Y. Kim, Sergey A. Kozlov, Emma P. Kozlovskaya, Margarita M. Monastyrnaya, Irina N. Gladkikh

“…The closest homologs, APETx2, Hcr 1b-1, and Hcr 1b-2, previously demonstrated the ability to inhibit hASIC3 with IC₅₀ 63 nM, 5.5, and 15.9 μM, respectively, while Hcr 1b-2 also inhibited rASIC1a with IC₅₀ 4.8 ± 0.3 μM. Computer modeling allowed us to describe the peculiarities of Hcr 1b-2 and Hcr 1b-4 interfaces with the rASIC1a channel and the stabilization of the expanded acidic pocket resulting from peptides binding which traps the rASIC1a channel in the closed state.…”
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Silibinin Overcomes EMT-Driven Lung Cancer Resistance to New-Generation ALK Inhibitors by Sara Verdura, Jose Antonio Encinar, Eduard Teixidor, Antonio Segura-Carretero, Vicente Micol, Elisabet Cuyàs, Joaquim Bosch-Barrera, Javier A. Menendez

“…Silibinin deactivated TGFβ-regulated SMAD2/3 phosphorylation and suppressed the transcriptional activation of genes under the control of SMAD binding elements. Computational modeling studies and kinase binding assays predicted a targeted inhibitory binding of silibinin to the ATP-binding pocket of TGFβ type-1 receptor 1 (TGFBR1) and TGFBR2 but solely at the two-digit micromolar range. …”
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Advances in numerical modeling of metallogenic dynamics: A review of theories, methods and technologies by Weiling Chen, Fan Xiao

“…This paper clarifies the basic methods and key problems of NMMD in promoting the study of deposit genesis and exploration, and expounds the frontier direction of NMMD, which provides basic guidance for the study of computational modeling of metallogenic dynamics.…”
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Multi-Task Learning for Concurrent Prediction of Thermal Comfort, Sensation and Preference in Winters by Betty Lala, Hamada Rizk, Srikant Manas Kala, Aya Hagishima

“…Therefore, researchers and engineers have proposed numerous computational models to estimate thermal comfort (TC). Given the impetus toward energy efficiency, the current focus is on data-driven TC prediction solutions that leverage state-of-the-art machine learning (ML) algorithms. …”
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Vaccinomics-Aided Development of a Next-Generation Chimeric Vaccine against an Emerging Threat: <i>Mycoplasma genitalium</i> by Kashaf Khalid, Tajamul Hussain, Zubia Jamil, Khalid Salman Alrokayan, Bashir Ahmad, Yasir Waheed

“…A tertiary chimeric design was computationally modeled using I-TASSER and Robetta and was subsequently refined through GalaxyRefine. …”
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Performance Analysis and Optimisation of a Solar On-Grid Air Conditioner by Francisco J. Aguilar, Javier Ruiz, Manuel Lucas, Pedro G. Vicente

“…This paper presents a computational model development capable of simulating the behaviour of a photovoltaic-assisted heat pump in different locations and working conditions. …”
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Asymptotically consistent and computationally efficient modeling of short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations by Maximilian J. Grill, Wolfgang A. Wall, Christoph Meier

“…Abstract This article proposes a novel computational modeling approach for short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations, and gives a detailed overview how it fits into the framework of existing fiber or beam interaction models, either considering microscale molecular or macroscale contact effects. …”
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Comparison of Measured and Calculated Data for NPP Krško CILR Test by Štefica Vlahović, Siniša Šadek, Davor Grgić, Tomislav Fancev, Vesna Benčik

“…There is a potential benefit of verified computer models usage for the explanation of some test results, too. …”
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Computational evidence for multi-layer crosstalk between the cadherin-11 and PDGFR pathways by Zeynep Karagöz, Fiona R. Passanha, Lars Robeerst, Martijn van Griensven, Vanessa L. S. LaPointe, Aurélie Carlier

“…In this study, we used a computational model to represent the experimentally proven interactions between cadherin-11 and the two PDGFRs and we inspected whether the crosstalk also exists downstream of the signaling initiated by the two receptor families. …”
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Reimagining Peer-to-Peer Lending Sustainability: Unveiling Predictive Insights with Innovative Machine Learning Approaches for Loan Default Anticipation by Ly Nguyen, Mominul Ahsan, Julfikar Haider

“…Given this, this study aims to create a computational model that aids lenders in determining the approval or rejection of a loan application, relying on the financial data provided by applicants. …”
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Coupled Multiphysics Modelling of Sensors for Chemical, Biomedical, and Environmental Applications with Focus on Smart Materials and Low-Dimensional Nanostructures by Sundeep Singh, Roderick Melnik

“…In this article, we provide details of such sensors, focusing on their several important classes, as well as the issues of their designs based on mathematical and computational models covering a range of scales. Such multiscale models require state-of-the-art techniques for their solutions, and we provide an overview of the associated numerical methodologies and approaches in this context. …”
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A Projectile Concussive Impact Model Produces Neuroinflammation in Both Mild and Moderate-Severe Traumatic Brain Injury by Lindsay T. Michalovicz, Kimberly A. Kelly, Travis J. A. Craddock, James P. O’Callaghan

“…Moreover, alignment of cytokine mRNA expression from the cortex of these rats with a computational model of neuron–glia interaction found that the moderate-severe TBI produced by the stainless-steel projectile strongly associated with the neuroinflammatory state, while the mild TBI existed in a state between normal and inflammatory neuron–glia interactions. …”
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Neural and functional validation of fMRI-informed EEG model of right inferior frontal gyrus activity by Ayelet Or-Borichev, Guy Gurevitch, Ilana Klovatch, Ayam Greental, Yulia Lerner, Dino J. Levy, Talma Hendler

“…To validate the computational model, we employed two experiments in healthy individuals. …”
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An FPGA Architecture for the RRT Algorithm Based on Membrane Computing by Zeyi Shang, Zhe Wei, Sergey Verlan, Jianming Li, Zhige He

“…As a newly proposed membrane computing model, the generalized numerical P system (GNPS) is intrinsically parallel; so, it is a good candidate for modeling parallel computations in the RRT algorithm. …”
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Discovery and evaluation of active compounds from Xuanfei Baidu formula against COVID-19 via SARS-CoV-2 Mpro by Min Zhang, Liting Liu, Yao Zhao, Yipeng Cao, Yan Zhu, Lifeng Han, Qi Yang, Yu Wang, Changjian Wang, Han Zhang, Yuefei Wang, Junhua Zhang

“…For introducing the molecular mechanism, computational modeling and NMR spectra were employed to characterize the ligand-binding modes and identify the ligand-binding site on Mpro. …”
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