Catalytic Motif Scaffolding: Diffusion-Designed Enzyme Backbones
Interactive 3D simulator of guided diffusion enzyme design: a protein backbone denoises from noise into a scaffold that must hold a fixed catalytic motif (Ser-His-Asp triad, metal site, or Cys-His dyad) at the correct 3D geometry, with live geometry error, clash score and guidance-strength trade-offs.
AI protein design tools don't just fold a chain toward a generic shape — for enzyme design, a generative diffusion model has to build a whole scaffold protein around a handful of catalytic residues while holding their relative 3D geometry exact, because that geometry is what actually does the chemistry. This simulator animates that "motif scaffolding" workflow directly: pick a catalytic preset (a Ser-His-Asp triad, a three-ligand metal-binding site, or a Cys-His protease dyad), choose a scaffold length, and watch a backbone denoise from pure coordinate noise into a folded chain that threads through those fixed active-site residues. The guidance-strength slider is the star of the show — it is the same conditioning knob real diffusion-based design pipelines use to trade off backbone plausibility against active-site precision, and the live catalytic-geometry RMSD readout shows exactly what happens to a designed enzyme's function when that guidance is too weak.
Watch a diffusion-based AI design model denoise a protein backbone from random noise into a folded scaffold that must hold a fixed catalytic motif (a Ser-His-Asp triad, a metal-binding site, or a Cys-His dyad) at the correct 3D geometry, with live catalytic-RMSD and clash-score readouts showing what happens when conditioning guidance is too weak.
3D · Three.js / WebGL renderer · 60 FPS target · runs fully client-side, no install