Novel generative AI model enables atomic-scale prediction of protein-protein interactions

Proteins are the molecular workhorses of the human body. They perform a vast range of essential functions, from building ...
Nature

Interaction-constrained 3D molecular generation using a diffusion model enables structure-based pharmacophore modeling for drug design

A key challenge in structure-based drug design is generating three-dimensional molecules while preserving essential protein-ligand interactions. We propose DiffPharma, a structure-based pharmacophore ...
Nature

Generalizable compound protein interaction prediction with a model incorporating protein structure aware and compound property aware language model representations

The identification of therapeutically interesting compounds from the estimated 10 60 potential drug-like chemicals remains a critical challenge in drug discovery 1. High-throughput screening is widely ...
Medical Xpress

New framework leverages 3D protein structures for systems-level analysis of cancer mutations

A study from Cornell researchers could enable a quantum leap forward in identifying and deciphering cancer-driving genetic mutations, the first step in developing effective therapeutics. Cells become ...
BioTechniques

Protein interaction underlying healthy brain development revealed

Researchers capture first-of-its-kind video of dynein–Lis1 protein interaction, supporting future drug development for neurological disorders. Our cells rely on microscopic highways and specialized ...