Abstract: Accurate molecular representation plays a crucial role in expediting the process of drug discovery. Graph neural networks (GNNs) have demonstrated robust capabilities in molecular ...

Molecules can serve as versatile building blocks for quantum technologies, but they are much harder to control than atoms. (Representational image)NurPhoto Scientists have achieved a new level of ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The interplay of specific surface interactions as well as ion and hydration ...

Abstract: We investigate the leakage current density– voltage (J–V) characteristics and gettering behavior of metallic impurities using a pn-junction diode fabricated with hydrocarbon (C3H5)-molecular ...

Sodium-ion batteries may be the answer to the future of sustainable energy storage and could be used to make drinking water out of seawater. Scientists at the University of Surrey have discovered a ...

Ion channels are integral membrane proteins that regulate the passage of ions across cell membranes, thereby shaping processes as diverse as neuronal signaling, muscle contraction, and hormone ...

Molecular machine learning (ML) underpins critical workflows in drug discovery, material science and catalyst optimization by rapidly predicting molecular interactions and properties. For instance, in ...

Open annotations (there are currently 0 annotations on this page). Whether a protein can properly carry out its role in a cell heavily depends on its unique three-dimensional shape. To understand the ...

Researchers have discovered how an ion channel in the brain's neurons has a kind of 'molecular memory', which contributes to the formation and preservation of lifelong memories. The researchers have ...

Understanding how molecules interact with ions is a cornerstone of chemistry, with applications from pollution detection and cleanup to drug delivery. In a series of new studies led by JILA Fellow and ...