Deep learning has revolutionized protein structure prediction, but capturing conformational ensembles remains a challenge. Molecular dynamics (MD) simulations can describe biomolecular dynamics, but ...

Cryogenic electron microscopy (cryo-EM) has now been widely used for determining multichain protein complexes. However, modeling a large complex structure, such as those with more than ten chains, is ...

Proteins are the workhorses that keep our cells running, and there are many thousands of types of proteins in our cells, each performing a specialized function. Researchers have long known that the ...

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Researchers from the U and beyond discussed in the Thursday symposium how AI reduces both the time and cost for medical ...

The genomes of phages—viruses that infect bacteria—are largely composed of "dark matter": genes that encode proteins whose functions remain unknown. Less than four years ago, a team led by Prof. Rotem ...

Gero, a biotechnology company developing novel therapeutics for aging and chronic diseases, has released ProtoBind-Diff, a novel masked diffusion language model that generates drug-like molecules for ...

Researchers have developed a new artificial intelligence (AI) model that can more accurately predict how proteins interact with one another—an advancement that could accelerate drug discovery and ...

Professor Jonathan Wittenberg used this model of sperm whale myoglobin structure as a teaching tool at the Albert Einstein College of Medicine at Yeshiva University in the Bronx. It was used beginning ...

Explore predictive modeling for compound prioritization, including in silico screening, toxicology models, and lead selection ...

The first synthetic fragment of tau protein has been created, revealing more about the diagnosis and treatment of neurodegenerative diseases. Researchers at Northwestern University (IL, USA) and the ...

Scientists at UT Southwestern Medical Center, working with other U.S. researchers, have uncovered the structure of a key cell membrane protein in a bacterial model for Chlamydia trachomatis, the cause ...