Tag: structure-based drug discovery

A new review maps the structural diversity of snake venom metalloproteinases and surveys a growing arsenal of plant compounds, repurposed ...

Researchers have developed KTransPose, a dual-branch graph neural network framework that reduces protein-ligand pose errors by roughly 12 percent on ...

A computational screening study has identified two non-covalent inhibitor candidates against the human rhinovirus 3C protease that outperform the reference ...