X-ray crystallography reveals how the rare enzyme D-apionate oxidoisomerase accommodates two distinct reactions in one active ...
A new multimodal AI framework called TriCCA-PPI fuses sequence, structure, and functional data through chained cross-attention to predict protein-protein interactions more accurately, especially for ...
The HK97-fold is an ancient, conserved protein structure that assembles protein shells, forming the capsids of Duplodnaviriaviruses and prokaryotic biochemical compartments called encapsulsins. It has ...
Researchers from Cleveland Clinic and IBM have recently published findings in the Journal of Chemical Theory and Computation that could lay the groundwork for applying quantum computing methods to ...
On Wednesday, the Nobel Committee announced that it had awarded the Nobel Prize in chemistry to researchers who pioneered major breakthroughs in computational chemistry. These include two researchers ...
Scientists at St. Jude Children's Research Hospital have created a database that provides updated predicted structures on a regular basis, ensuring scientists can work with the most current ...
An intense x-ray pulse from a free-electron laser sends a protein’s atoms flying off in directions that reveal the protein’s structure. With the advent of x-ray free-electron-laser facilities in the ...