Faster drug discovery through machine learning

Drugs can only work if they stick to their target proteins in the body. Assessing that stickiness is a key hurdle in the drug discovery and screening process. New research combining chemistry and machine learning could lower ...

Atomic structures mapped in measles, mumps, flu and RSV

Northwestern University researchers have, for the first time, determined the 3-D atomic structure of a key complex in paramyxoviruses, a family of viruses that includes measles, mumps, human parainfluenza and respiratory ...

Designing biological movement on the nanometer scale

Synthetic proteins have been created that move in response to their environment in predictable and tunable ways. These motile molecules were designed from scratch on computers, then produced inside living cells.

Mega docking library poised to speed drug discovery

Researchers have launched an ultra-large virtual docking library expected to grow to more than 1 billion molecules by next year. It will expand by 1000-fold the number of such "make-on-demand" compounds readily available ...

Biologists' new peptide could fight many cancers

MIT biologists have designed a new peptide that can disrupt a key protein that many types of cancers, including some forms of lymphoma, leukemia, and breast cancer, need to survive.

Scientists produce cancer drug from rare plant in lab

Many of the drugs we take today to treat pain, fight cancer or thwart disease were originally identified in plants, some of which are endangered or hard to grow. In many cases, those plants are still the primary source of ...

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