The search for inhibitors of the quorum sensing receptor of pseudomonas aeruginosa. by Chua, Jenna.

“…An automated docking system was used to run a collection of 10,000 diverse compounds against a computationally modeled PqsR structure, using cavity- and template- based docking methods. …”
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Predicting the antigenicity and reassortment probability of influenza viruses by Ong, Wenqi

“…With data and knowledge on the influenza virus becoming more abundant and accessible in the field of bioinformatics, there is accordingly an increase in the development of computational models for analysis and prediction based on various characteristics of the influenza virus, such as influenza antigenicity. …”
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Revolutionizing treatment for disorders of consciousness: a multidisciplinary review of advancements in deep brain stimulation by Yang, Y, Cao, T, He, S, Wang, L, He, Q, Fan, L, Huang, Y, Zhang, H, Wang, Y, Dang, Y, Wang, N, Chai, X, Wang, D, Jiang, Q, Li, X, Liu, C, Wang, S

“…During the evolution of DOC therapy, the segmentation of central nuclei, the recording of single-neurons, and the analysis of local field potentials have emerged as favorable technical factors that enhance the efficacy of DBS treatment. Advances in computational models have also facilitated a deeper exploration of the neural dynamics associated with DOC, linking neuron-level dynamics with macroscopic behavioral changes. …”

Development of a semi-empirical physical model for transient NOx emissions prediction from a high-speed diesel engine by Bajwa, A, Zou, G, Zhong, F, Fang, X, Leach, F, Davy, M

“…Progress in experimental engine development and computational modelling has led to the generation of a large amount of high-fidelity emissions and in-cylinder data, making it attractive to use data-driven emissions prediction and control models. …”

Heat diffusion during thin-film composite membrane formation by Deshmukh, Akshay, Lienhard, John H., Elimelech, Menachem

“…Using a combination of analytic solutions and computational models, we demonstrate that the thermal effusivities of fluid and material layers can have a significant effect on the temporal evolution of interfacial temperature during IP. …”
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Two complementary features of humoral immune memory confer protection against the same or variant antigens by Van Beek, Matthew, Nussenzweig, Michel C, Chakraborty, Arup K

“…We developed a computational model to study how humoral memory is recalled upon reinfection or booster vaccination. …”
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A comparative analysis of ENCODE and Cistrome in the context of TF binding signal by Perna, Stefano, Pinoli, Pietro, Ceri, Stefano, Wong, Limsoon

“…Background: With the rise of publicly available genomic data repositories, it is now common for scientists to rely on computational models and preprocessed data, either as control or to discover new knowledge. …”
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Crowd evacuation analysis using agent-based simulation by Seah, Kwang Beng

“…Understanding the crowd and representing it using computational modelling. CrowdTool allows behaviours to be represented using cognitive models and it simulates the human-like behaviour in different scenarios. …”
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Edge/cloud resource management for time-sensitive applications by Lim, Her Huey

“…Serverless computing, with its auto-scaling services and pay-per-use pricing model, has also gained popularity among users looking for a hassle-free cloud experience. However, these computing models are usually associated with greater latencies due to factors such as physical distance, server load, network congestion, and bandwidth limitations. …”
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Low-complexity video quality assessment using temporal quality variations by Narwaria, Manish, Lin, Weisi, Liu, Anmin

“…Objective video quality assessment (VQA) is the use of computational models to evaluate the video quality in line with the perception of the human visual system (HVS). …”
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Designing a novel Aerolysin-based multiepitope vaccine against Aeromonas hydrophila isolated from Osphronemus goramy using reverse vaccinology: an in silico approach by Rozi, ., Tyasningsih, Wiwiek, Rahmahani, Jola, Aksono, Eduardus Bimo, Yunus, Muchammad, Al Arif, Mohammad Anam, Kuncorojati, Suryo, Kusdarwati, Rahayu, Sari, Putri Desi Wulan, Azmai, Mohammad Noor Amal, Salleh, Annas, Khanand, Nadeem, Suwarno, .

“…Based on docking simulations, the MEV had strong binding energies with TLR-4 (-1081.4 kcal/mol), TLR-9 (-723.2 kcal/mol), MHC-I (-866.2 kcal/ mol), and MHC-II (-9043.3 kcal/mol). Based on computational modeling, we expect the aerolysin MEV candidate to activate diverse immune mechanisms, stimulate robust responses against A. hydrophila, and maintain safety. …”
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Heads-Up Multitasker: Simulating Attention Switching On Optical Head-Mounted Displays by Bai, Yunpeng, Ikkala, Aleksi, Oulasvirta, Antti, Zhao, Shengdong, Wang, Lucia J, Yang, Pengzhi, Xu, Peisen

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A hybrid discrete differential evolution algorithm for economic lot scheduling problem with time variant lot sizing by Suganthan, P. N., Ganguly, Srinjoy, Chowdhury, Arkabandhu, Mukherjee, Swahum, Das, Swagatam, Chua, Tay Jin

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Listening by Synthesizing by Cherep, Manuel

“…In this thesis, I propose an alternate approach that relies on a virtual modular synthesizer; a computational model with modules for controlling, generating, and processing sound that connect together to produce diverse sounds. …”
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The stress granule protein G3BP1 binds viral dsRNA and RIG-I to enhance interferon-β response by Kim, Susana Soo-Yeon, Sze, Lynette, Lam, Kong-Peng

“…Interestingly, immunoprecipitation studies using biotin-labeled viral dsRNA or poly(I·C) and cell lysate–derived or in vitro translated G3BP1 indicated that G3BP1 could directly bind these substrates and again via its RGG domain. Computational modeling further revealed a juxtaposed interaction between G3BP1 RGG and RIG-I RNA-binding domains. …”
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Information learning bias in depression by Lin, W

“…We developed a task in which we independently manipulated the volatility of win and loss outcomes and systematically examined the underlying mechanisms of adaptive learning in depression using computational modelling, fMRI, pharmacological manipulation and pupillometry recordings. …”

Human-AI Co-Dancing: Evolving Cultural Heritage through Collaborative Choreography with Generative Virtual Characters by Pataranutaporn, Pat, Mano, Phoomparin, Bhongse-Tong, Piyaporn, Chongchadklang, Tas, Archiwaranguprok, Chayapatr, Hantrakul, Lamtharn, Eaimsa-ard, Jirach, Maes, Pattie, Klunchun, Pichet

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Physiologically based modelling of cerebral autoregulation by Wang, Y

“…This CA model was subsequently coupled with a multi- compartment porous Finite Element model, successfully incorporates autoregulation mechanisms into the computational modelling of brain oedema and osmotherapy. The improved model demonstrated closer alignment with clinical data, particularly enhancing consistency in managing intracranial pressure during the rebound phase following osmotherapy. …”

kboolnet: a toolkit for the verification, validation, and visualization of reaction-contingency (rxncon) models by Carretero Chavez, Willow, Krantz, Marcus, Klipp, Edda, Kufareva, Irina

“…Abstract Background Computational models of cell signaling networks are extremely useful tools for the exploration of underlying system behavior and prediction of response to various perturbations. …”
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Designing a spiking neural network system for object recognition by Thong, Jing Yuan

“…An innovative brain-inspired computational model, Spiking Neural Networks have demonstrated high energy efficiency and remarkable processing capabilities of spatiotemporal information. …”
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