Computational methods have revolutionised drug design by integrating molecular dynamics simulations with advanced free energy calculations. This approach allows researchers to predict binding ...

This study presents MPALM, a novel microscopy technique that captures nanoscale biomolecular dynamics, overcoming limitations ...

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 ...

In a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...

Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without encoding traditional physical constraints ...

Recent breakthroughs in AI, quantum computing, and advanced microscopy are redefining how scientists simulate and visualize molecular systems. New methods capture long-range atomic interactions, model ...

Endocrine systems are defined by complex dynamic behaviours such as oscillations, delays, transient responses, and feedback regulation, all of which are ...