- Input: a protein sequence, optionally with a reference structure.
- Output: an ensemble of sampled conformations approximating the protein’s equilibrium structural diversity.
Structure Dynamics
Structure Dynamics
Sample protein conformational ensembles
Generate conformational ensembles that capture the range of structures a protein adopts at
equilibrium. Rather than returning a single static model, these tools sample many plausible
conformations, approximating the diversity that explicit molecular-dynamics simulation
would reveal at far greater cost.

Microsoft Research