Scientists at the VIB–VUB Center for Structural Biology have uncovered a counterintuitive principle that could reshape how ...

Protein folding raises some of biology's greatest theoretical challenges. It also lies at the root of many diseases. For example, the fundamental question of whether a protein's final tertiary ...

Protein folding is a critical process by which linear chains of amino acids adopt specific three‐dimensional conformations essential for biological function. In recent years, studies have increasingly ...

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 ...

Proteins are important molecules that perform a variety of functions essential to life. To function properly, many proteins must fold into specific structures. However, the way proteins fold into ...

"A protein must fold properly to become an enzyme or signaling molecule or whatever its function may be - all the many things that proteins do in our bodies," said University of Illinois ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...

Most of the activities that go on inside cells—the activities that keep us living, breathing, thinking animals—are handled by proteins. They allow cells to communicate with each other, run a cell’s ...

Researchers have discovered a surprising anomaly in the behavior of how proteins form, upending long-held assumptions about the way cells produce these crucial molecules and potentially leading to a ...

On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...