The AI-based program AlphaFold predicts a protein's 3D structure with remarkable accuracy. However, it tends to reduce heterogeneous structures to a single dominant conformation, or shape, and ...

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 ...

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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 ...

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 ...

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

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 ...

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 ...

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

Protein scientists could improve reproducibility and coordination across the field by rallying around a small, shared set of "model proteins," according to a new Perspective by Connecticut College ...