Simulation of Fire with a Gas Kinetic Scheme on Distributed GPGPU Architectures
Computation, 2020 The simulation of fire is a challenging task due to its occurrence on multiple space-time scales and the non-linear interaction of multiple physical processes. Current state-of-the-art software such as the Fire Dynamics Simulator (FDS) implements most of
Stephan Lenz +2 more
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Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches [PDF]
PeerJ, 2022 Exploring potent herbal medicine candidates is a promising strategy for combating a pandemic in the present global health crisis. In Ayurveda (a traditional medicine system in India), Withania somnifera (WS) is one of the most important herbs and it has ...
Shivananada Kandagalla +5 more
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Synchronizability of Discrete Nonlinear Systems: A Master Stability Function Approach
Complexity, 2023 In recent times, studies on discrete nonlinear systems received much attention among researchers because of their potential applications in real-world problems.
Mohanasubha Ramasamy +4 more
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Computational structure‐based drug design: Predicting target flexibility [PDF]
, 2018 The role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing a competitive advantage in early
Ding X. +4 more
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Agent-based computational modeling of wounded epithelial cell monolayers [PDF]
, 2004 Computational modeling of biological systems, or ‘in silico biology’ is an emerging tool for understanding structure and order in biological tissues. Computational models of the behavior of epithelial cells in monolayer cell culture have been developed ...
Hill, G. +4 more
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Enhancing Railway Detection by Priming Neural Networks with Project Exaptations
Remote Sensing, 2022 When integrating railway constructions and refurbishments into an existing infrastructure, it is beneficial to have knowledge of the exact state, geometry, and placement of the connected assets.
Felix Eickeler, André Borrmann
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Minimum Information About a Simulation Experiment (MIASE) [PDF]
, 2011 Reproducibility of experiments is a basic requirement for science. Minimum Information (MI) guidelines have proved a helpful means of enabling reuse of existing work in modern biology. The Minimum Information Required in the Annotation of Models (MIRIAM)
Hucka, Michael, Waltemath, Dagmar
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In-Silico Design of Novel Glucagon-Like Peptide 1 Mutants as Candidate for New Peptide Agonist Drugs
Hayati Journal of Biosciences, 2021 The binding of glucagon-like peptide 1 (GLP-1) incretin hormone and its receptor GLP-1R plays an important role in the human body. The GLP-1 acts as the insulin secretion stimulator through a GLP-1R agonist activation to avoid the type 2 diabetes ...
Tony Sumaryada +4 more
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BMC Immunology, 2018 Background Although a safe and effective yellow fever vaccine was developed more than 80 years ago, several issues regarding its use remain unclear. For example, what is the minimum dose that can provide immunity against the disease?
Carla R. B. Bonin +3 more
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Understanding Student Computational Thinking with Computational Modeling
, 2012 Recently, the National Research Council's framework for next generation science standards highlighted "computational thinking" as one of its "fundamental practices".
Aiken, John M. +6 more
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