Simulations comparing aluminum oxide models with differing amounts of corrugation demonstrate the significance of hydroxyl ...

This study investigates the folding and unfolding behavior of the doubly knotted protein TrmD-Tm1570, providing insight into the molecular mechanisms underlying protein knotting. The findings reveal ...

UNC researchers discovered how a key step in cell signaling works by showing exactly how G proteins detach from receptors ...

The authors present an important multi-scale computational platform, which aims to automate the workflow for coarse-grained simulations of biomolecules in the framework of the popular MARTINI model.

Five federally funded AI institutes provide a backbone for agriculture-focused AI research. The grand challenge facing global ...