AIMC Topic: Computer Simulation
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In-silico study of approved drugs as potential inhibitors against 3CLpro and other viral proteins of CoVID-19.
PloS one
Jun 25, 2025
The global pandemic, due to the emergence of COVID-19, has created a public health crisis. It has a huge morbidity rate that was never comprehended in the recent decades. Despite numerous efforts, potent antiviral drugs are lacking. Repurposing of dr...
Quantum-inspired computational drug design for phytopharmaceuticals: a herbal holography analysis.
Journal of molecular modeling
Jun 13, 2025
CONTEXT: Modern medication discovery is undergoing a paradigm change at the junction of herbal pharmacology with computational modeling informed by quantum theory. Herbal compounds, which have often been considered as complex and poorly understood en...
Tailoring neuromuscular dynamics: A modeling framework for realistic sEMG simulation.
PloS one
Jun 12, 2025
This study introduces an advanced computational model for simulating surface electromyography (sEMG) signals during muscle contractions. The model integrates five elements that simulate the chain of processes from motor intention to voltage variation...
Generative AI for predictive breeding: hopes and caveats.
TAG. Theoretical and applied genetics. Theoretische und angewandte Genetik
Jun 11, 2025
Among the broad area of artificial intelligence (AI), generative AI algorithms have emerged as a revolutionary technology able to produce highly realistic 'synthetic' data, akin to standard simulation but with fewer contraints. The main focus of gene...
Validation of simulated training sets using a convolutional neural network for isotope identification in urban environments.
PloS one
Jun 9, 2025
Real-time isotope identification in urban environments can aid law enforcement by providing additional information about the nature of a potential threat. Neural networks have shown promise in isotope identification but the large range of potential i...
Evaluation of data driven low-rank matrix factorization for accelerated solutions of the Vlasov equation.
PloS one
Jun 9, 2025
Low-rank methods have shown success in accelerating simulations of a collisionless plasma described by the Vlasov equation, but still rely on computationally costly linear algebra every time step. We propose a data-driven factorization method using a...
Assessing simulation-based supervised machine learning for demographic parameter inference from genomic data.
Heredity
Jun 6, 2025
The ever-increasing availability of high-throughput DNA sequences and the development of numerous computational methods have led to considerable advances in our understanding of the evolutionary and demographic history of populations. Several demogra...
Self-organising bio-inspired reflex circuits for robust motor coordination in artificial musculoskeletal systems.
Bioinspiration & biomimetics
Jun 6, 2025
Artificial musculoskeletal systems mimic mammalian biomechanics using antagonistic muscles and rigid skeletons. They offer benefits such as adjustable stiffness, back-drivability, and muscle failure tolerance but are difficult to model and control du...
Dynamics and design of passive tails for enhanced stability of motion.
Bioinspiration & biomimetics
Jun 6, 2025
In this work, we study the nonlinear dynamics of tail motion using numerical simulations and experiments. Our simulations are based on a discrete model comprising rigid cylinders (representing vertebrae) coupled by longitudinal, shear, and bending sp...
Optimization of hemocompatibility metrics in ventricular assist device design using machine learning and CFD-based response surface analysis.
The International journal of artificial organs
Jun 6, 2025
Ventricular assist devices (VADs) are essential for end-stage heart failure patients, but their design must balance hydraulic efficiency and hemocompatibility to minimize blood damage. This study presents a multi-objective optimization framework inte...
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