Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of predicting ...

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 ...

Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have developed a pioneering computational model that could expedite the use of nanomaterials in biomedical applications.

Proteins are the building blocks of life, involved in virtually every biological process. Understanding how proteins interact with each other is crucial for deciphering the complexities of cellular ...

For the field of drug development, hitting the right target with atomic precision to achieve therapeutic effect remains the core challenge. While traditional R&D pipelines are dependent on ...

Scientists from Cleveland Clinic and Cornell University have designed a publicly-available software and web database to break down barriers to identifying key protein-protein interactions to treat ...

They build our bodies and orchestrate the molecular processes in cells that keep them healthy. They also present a wealth of targets for new medications. From everyday pain relievers to sophisticated ...

A new statistical model demonstrates the ability to correctly predict the folding mechanisms for both small and large proteins. The function of a protein is determined by its structure. From the rigid ...

In the early 1980s, David Gilmour, now an emeritus biochemistry and molecular biology professor at Pennsylvania State University, joined the laboratory of geneticist and biochemist John Lis as a ...