Hundreds of protein-ligand interactions have been identified through a collaboration between the CeMM Research Center for Molecular Medicine of the Austrian Academy of Sciences and Pfizer. Georg ...

Scientists have used deep learning to design new proteins that bind to complexes involving other small molecules like hormones or drugs, opening up a world of possibilities in the computational design ...

Viruses possess a formidable ability to enter our cells to multiply there, thus triggering diseases. However, a team from ...

Scientists have designed a publicly-available software and web database to break down barriers to identifying key protein-protein interactions to treat with medication. The computational tool is ...

WEST LAFAYETTE, Ind. – Proteins are often called the working molecules of the human body. A typical body has more than 20,000 different types of proteins, each of which are involved in many functions ...

This study presents SynaptoGen, a differentiable extension of connectome models that links gene expression, protein-protein interaction probabilities, synaptic multiplicity, and synaptic weights, and ...

Artificial intelligence has just helped virologists pull off something that used to take years of trial and error: crippling a virus by changing a single molecular contact point. Instead of screening ...

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 ...