TopoFlow protein conformational ensemble prediction server

TopoFlow uses evolutionarily conditioned flow matching to generate a protein conformational ensemble

TopoFlow is designed for protein conformational ensemble prediction using an evolutionarily conditioned flow-matching framework. Starting from an amino-acid sequence, TopoFlow incorporates evolutionary information to guide continuous structural transformations and sample alternative protein conformations. Instead of representing a protein with only one static structure, the server focuses on generating a collection of structurally diverse states that can reflect protein flexibility and conformational heterogeneity. For each submitted target, users can paste a protein sequence or upload a single-sequence FASTA file and specify the desired number of conformations. The server standardizes the sequence input, records the sampling parameters, and places the task into the TopoFlow processing queue. After computation is complete, the generated conformations are organized on a dedicated result page and provided as a downloadable ensemble archive. TopoFlow is intended to support research on protein dynamics, alternative structural states, and structure-function relationships.


Protein conformational ensembles prediction

Fields marked with * are required.

1. Protein input

Choose exactly one input method. Only the 20 standard one-letter amino-acid codes are supported.

0 residues

2. Job settings

Accepted range: 1-10000
Optional; used to identify the submitted task

News

Download

Each completed TopoFlow job provides a downloadable conformational ensemble archive named topoflow_results.tar.gz. The archive is available from the task-specific result page associated with the returned UUID.

View download information

References

  1. Cui X, Ge L, Chen X, Lv Z, Wang S, Zhou X, Zhang G. Beyond static structures: protein dynamic conformations modeling in the post-AlphaFold era. Briefings in Bioinformatics. 2025;26(4):bbaf340.
  2. Cui X, Ge L, Yang X, Li X, Hou D, Zhou X, Zhang G. Exploring protein conformational ensembles using evolutionary conditional diffusion. bioRxiv. 2026.01.30.702768.
  3. TopoFlow: evolutionarily conditioned flow matching for protein conformational ensemble generation. Manuscript and citation details will be added after publication.