Understanding the structural mechanisms of protein–ligand binding and their dependence on protein sequence and conformation is of fundamental importance for biomedical research. Here we ...

In biology, the binding of cellular proteins to molecules called ligands produces myriad functions essential for life, ...

More information: Duanhua Cao et al, SurfDock is a surface-informed diffusion generative model for reliable and accurate protein–ligand complex prediction, Nature Methods (2024). DOI: 10.1038 ...

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 ...

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 ...

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 : ...

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 ...