Abstract: DeepMD-kit enables deep learning-based molecular dynamics (MD) simulations that require efficient parallelization to leverage modern HPC architectures. In this work, we optimize DeepMD-kit ...

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Researchers test state-of-the-art models on diverse RNA structures, opening doors for RNA-based therapies and drug design Ribonucleic acid (RNA) is one of life’s most versatile molecules, with roles ...

Google LLC’s quantum division today released research showing that its Willow quantum chip can provide elegant and accurate simulations about the physical properties of molecules much faster than ...

NVIDIA collaborates with national labs to integrate AI into molecular dynamics simulations, enhancing scalability and efficiency for large-scale scientific research. NVIDIA, in collaboration with Los ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. A complete ...

This study shows, for the first time, the structure and snapshots of the dynamics of the full-length soluble Angiotensin-I converting enzyme dimer. The combination of structural and computational ...

The consortium running the European Space Agency's (ESA) Euclid mission has published the most extensive simulation of the cosmos to date. The modeling was based on algorithms developed by UZH ...

Jorge Nieva, MD, highlights the critical role of molecular testing in non–small cell lung cancer (NSCLC) care, while addressing barriers such as limited tissue samples, delayed turnaround times, and ...

This video is no longer available. The governors of the two states that share borders with D.C. are sharing starkly different opinions on President Donald Trump’s deployment of the National Guard and ...