A research team led by UAB researcher David Reverter has discovered the molecular mechanism that describes in detail the ...

Solar energy is a possible alternative, but while we have become reasonably good at storing solar electricity in lithium-ion ...

Artificial intelligence (AI) is transforming how scientists understand proteins—these are working molecules that drive nearly every process in the human body, from cell growth and immune defense to ...

Abstract: Large language models (LLMs) have significantly advanced computational biology by enabling the integration of molecular, protein, and natural language data to accelerate drug discovery.

A new topology-based method predicts atomic charges in metal-organic frameworks from bond connectivity alone, making large-scale computational screening practical.

We aim to build a pre-trained Graph Neural Network (GNN) model on molecules without human annotations or prior knowledge. Although various attempts have been proposed to overcome limitations in ...

Eggplant is a globally important vegetable crop, yet its genetic complexity has long limited efforts to improve yield, quality, and stress resistance.

As an emerging technology in the field of artificial intelligence (AI), graph neural networks (GNNs) are deep learning models ...

In the past week, InSysBio announced an extension of its collaboration with BeOne Medicines, applying mechanistic translational modeling to refine starting doses, step-up regimens, and dose-escalation ...

Abstract: Molecular property prediction plays a crucial role in drug discovery and material design. Existing methods often rely on either molecular graphs or SMILES sequences, leading to limited ...