Search results for molecular dynamics software

Biochemistry Apr 23, 2024

New toolkit makes molecular dynamics simulations more accessible

Molecular dynamics (MD) simulations have become a powerful tool in the ever-growing fields of molecular biology and drug development. While many MD simulation techniques exist, parallel cascade selection MD (PaCS-MD) is a ...

Cell & Microbiology Apr 11, 2024

Machine learning model sheds new light on muscle development

Life sciences have never been more digital. To learn more about life processes, biologists are collecting massive quantities of data that computer scientists analyze by means of sophisticated computational models that they ...

Materials Science Mar 13, 2024

Molecular simulations of ammonia mixtures support search for renewable fuels

Ammonia (NH3) is an important molecule with many applications. The end product of the famed Haber–Bosch process, it is commonly synthesized to capture nitrogen for fertilizers, and is used for refrigeration, in cleaning ...

Cell & Microbiology Feb 21, 2024

The modeling and simulation of self-organized intracellular twisters in the Drosophila oocyte

Cytoplasmic streaming is the large-scale motion of cytoplasm (i.e., gelatinous liquid inside cells) inside a living cell. This flow, known to regulate various intracellular processes, can vary greatly between different cell ...

Analytical Chemistry Dec 19, 2023

Combining atomistic simulations and machine learning to predict grain boundary segregation in magnesium alloys

Magnesium alloys hold promise as a lightweight material to reduce weight in automobiles and transportation systems, offering potential to enhance fuel economy and reduce emissions, but low formability and strength prevent ...

Molecular & Computational biology Dec 13, 2023

Researchers predict protein placement on atomic force microscopy substrates

Researchers at Kanazawa University report in Frontiers in Molecular Biosciences a computational method to predict the placement of proteins on AFM substrates based on electrostatic interactions

Biochemistry Nov 29, 2023

Researchers identify dynamic behavior of key SARS-CoV-2 accessory protein

Researchers at Kanazawa University report in the Journal of Physical Chemistry Letters high-speed atomic force microscopy studies that shed light on the possible role of the open reading frame 6 (ORF6) protein in COVID-19 ...

General Physics Nov 20, 2023

New computer code for mechanics of tissues and cells in three dimensions

Biological materials are made of individual components, including tiny motors that convert fuel into motion. This creates patterns of movement, and the material shapes itself with coherent flows by constant consumption of ...

Optics & Photonics Aug 1, 2023

Exploiting nonlinear scattering medium for optical encryption, computation and machine learning

Can one see through a scattering medium like ground glass? Conventionally, such a feat would be deemed impossible. As light travels through an opaque medium, the information contained in the light becomes "jumbled up," almost ...

Nanophysics May 15, 2023

Supercomputing simulations spot electron orbital signatures

No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have imaged the signatures of electron orbitals, ...

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