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 ligand ...

A novel geometric deep learning framework designs ligand-specific protein binders, enhancing therapeutic potential in cell therapies and synthetic biology.

Researchers have developed a computational method to explicitly consider the impact of water while designing membrane receptors with enhanced stability and signaling, paving the way for novel drug ...

Only one of the proteins stuck: CD47 ... Also, Nest1 outcompeted CD47’s ligand, showing a particularly strong interaction that could be regulating immune activity. This surprised the team. “Why would ...

Optibrium, a leading developer of software and AI solutions for molecular design today announced the introduction of a new PyMOL Graphical User Interface (GUI) for Surflex-Dock, its industry-leading ...

Their environments—water, lipid membranes, or other condensed phases—are critical to their function, shaping their structure and interactions. Yet many modern protein-design methods ...

"This streamlined approach significantly reduces reliance on detailed structural data, thus expanding the scope for sequence-based exploration of protein-ligand interactions." The researchers ...

EPFL researchers have developed a computational method to explicitly consider the impact of water while designing membrane ...

“This streamlined approach significantly reduces reliance on detailed structural data, thus expanding the scope for sequence-based exploration of protein-ligand interactions.” The researchers — ...