Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

Computational models and simulations have had an important role in engineering analysis since as far back as the 1960s. It is widely recognized that the use of modeling and simulation tools can make ...

Theory and understanding underpin a great deal of experimentation and engineering. Working together experimentalists can be guided by theoretical predictions and theoreticians can refine their models ...

This study presents SynaptoGen, a differentiable extension of connectome models that links gene expression, protein-protein interaction probabilities, synaptic multiplicity, and synaptic weights, and ...

Researchers have discovered a new way to drive chemical reactions that could generate a wide variety of azetidines -- four-membered nitrogen heterocycles that have desirable pharmaceutical properties.

Physical gel models and numerical simulations have been created to study ferret brain gyrification and cortical malformations, while comparisons with human phenotypes aim to link genetics and brain ...

A new computational model of the brain based closely on its biology and physiology has not only learned a simple visual ...

Researchers at Leipzig University and the University of Gothenburg have developed a novel approach to assessing an individual ...

A biologically grounded computational model built to mimic real neural circuits, not trained on animal data, learned a visual categorization task just as actual lab animals do, matching their accuracy ...

Vaccines are vital for human health, a fact that has been highlighted by the recent coronavirus disease 2019 (COVID-19) pandemic. They are regarded as the safest and most cost-effective approach ...

Encapsulated microbubbles (EMBs), tiny gas-filled bubbles coated in lipid or protein shells, play a central role in ...