CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...
A platform to engineer enzymes responsible for the formation of amide bonds as an effort toward developing biocatalysts for green chemistry. Amide bonds — a type of chemical bond formed between a ...
Enzyme engineering is a significant tool for fine-tuning enzymes to alter their stability, activity, and specificity. Enzymes are highly versatile macromolecular biological catalysts that can ...
A generalizable ML framework predicts protein interactions with ligand-stabilized gold nanoclusters, supporting faster design of bioimaging, sensing and drug delivery materials. (Nanowerk News) The ...
Proteins are life's molecular workhorses, doing everything from turning sunlight into food to fighting viruses. They are built from 20 different types of amino acid molecules, so even a small protein ...
In an interview with Technology Networks, Dr. Daniel Reker discusses how machine learning is improving data-scarce areas of drug discovery.
Until now, designing complex metamaterials with specific mechanical properties required large and costly experimental and simulation datasets. The method enables ...
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