The detection and quantification of protein-ligand binding interactions is crucial in a number of different areas of biochemical research from fundamental studies of biological processes to drug ...

More information: Duanhua Cao et al, SurfDock is a surface-informed diffusion generative model for reliable and accurate ...

It is broadly applicable to diverse ligands, and allows for systematic analysis of ligand-binding proteins, their binding sites, and local binding affinities in cell lysate, where proteins carry ...

When a protein meets a compatible binder or ligand, it can transform completely, since small changes can cascade and reconfigure its entire structure — in life this leads to things like a ...

Proteins have specific biological functions in cells through conformational changes and interactions. Therefore, precise, in ...

ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models. Structural Dynamics , 2024; 11 (6) DOI: 10.1063/4.0000271 Cite This Page : ...

In biology, the binding of cellular proteins to molecules called ligands produces a myriad of functions essential for life, including cell signaling and enzymatic action. In biotechnology and medicine ...

The study, “ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models,” is published in the journal Structural Dynamics, as part of a special topic ...