TorchSim: a next-generation atomistic simulation engine for the AI era
Peer-Reviewed Publication
This month, we’re focusing on artificial intelligence (AI), a topic that continues to capture attention everywhere. Here, you’ll find the latest research news, insights, and discoveries shaping how AI is being developed and used across the world.
Updates every hour. Last Updated: 18-Nov-2025 00:11 ET (18-Nov-2025 05:11 GMT/UTC)
With the rapid advancements in computer technology and bioinformatics, the prediction of protein-ligand binding sites has become a central component of modern drug discovery and development. Traditional experimental methods are often constrained by long experimental cycles and high costs; therefore, the development of accurate and efficient computational methods is of paramount significance for conserving time and cost. This review comprehensively summarizes the methodological advancements and current applications in the field of screening for druggable protein target sites, systematically comparing the fundamental principles, advantages, and disadvantages of four main categories of methods: structure- and sequence-based methods, machine learning-based methods, binding site feature analysis methods, and druggability assessment methods. Subsequently, by integrating classic case studies, this paper elaborately discusses the technical support and theoretical guidance afforded by the screening of protein druggable target sites for drug discovery and drug repositioning. Finally, this paper thoroughly explores the current challenges inherent in the field of protein-ligand binding site prediction, with a particular focus on future technological trends, systematically elucidating the developmental prospects and potential applications of these predictive methods.
This review presents a comprehensive analysis of the electromagnetic shielding mechanisms, advanced synthesis techniques, and material optimization strategies for ceramic-based electromagnetic shielding materials. Meanwhile, this review discusses the research progress of traditional ceramics (such as oxides, carbides, borides, nitrides and ferrites) and emerging ceramics (such as polymer-derived ceramics, MAX phase ceramics and high-entropy ceramics). Furthermore, the review outlines future research directions in four key areas: microstructure engineering for high-efficiency electromagnetic shielding ceramics, advanced manufacturing technologies, multifunctional integration of shielding properties, and the development of artificial intelligence-driven design approaches for ceramic materials.
An AI from the University of Würzburg autonomously controlled a satellite in orbit for the first time, demonstrating the potential of intelligent, self-learning space systems.