In a study published in PNAS, a research team developed a new reinforcement learning-based enhanced sampling method called Adaptive Collective Variables Generator (Adaptive CVgen), which has been ...

A novel protein cage system can control and visualize orientational changes in aromatic side chains upon ligand binding. By inducing coordinated molecular changes, this approach enables precise ...

Novel protein cage systems can control and visualize orientational changes in aromatic side chains upon ligand binding, as reported by researchers at the Institute of Science, Tokyo. By inducing ...

The way proteins move is often what gives them biological activity: they can open, close, twist, and rearrange themselves in ways that allow them to bind to other molecules or perform complex ...

Cancer is one of the leading causes of death worldwide, affecting over 20 million individuals and killing 9.7 million in 2022 alone. Each of ~200 cancer types (and multiple subtypes) presents an ...

Scripps Research scientists discovered that some sections of the hormone-carrying molecule transthyretin (left) are in constant motion (right), which may explain why the protein can misfold and ...

In Greek mythology, Proteus, son of Poseidon and prophetic shepherd of sea-beasts, could foretell the future. The elusive sea god was difficult to capture as he assumed many forms—a lion, a serpent, ...