The development of intelligent methods capable of predicting protein-ligand binding sites has become a popular research field. Recently, deep learning based methods have been proposed as a promising ...

The SAIR database is designed to help scientists train AI models to better predict protein-ligand binding affinities for drug discovery.

I was testing the binding of a well known ligand to my protein as a control but the value of affinity probability is low (0.56). Why I am getting low probability for known ligand of my protein.

The collision of the Milky Way and Andromeda galaxies that scientists believed was inevitable has a much lower probability than previously thought. The Associated Press reported Monday that ...

The ligand binding effect in intracellular signaling was estimated by measuring the probability of triad formation in the intracellular region. NPS bound CB 1 shows higher probability of forming triad ...

These modules allow the ProteinReDiff framework to capture intricate protein–ligand interactions, improve the fidelity of binding affinity predictions and enable more precise redesigns of ...

Simplified redesign of proteins to improve ligand binding Date: January 21, 2025 Source: University of Alabama at Birmingham Summary: The ability to alter proteins to refine control over binding ...

The analysis of protein-ligand binding sites plays a crucial role in the initial stages of drug discovery. Accurately predicting the ligand types that are likely to bind to protein-ligand binding ...

This second ligand binding site, which lies between the membrane and the protein provides a new challenge and opportunity for computational ligand design.