Published May 8, 2026 | Version v1.0
Other Open

SwiftTCR

  • 1. ROR icon Radboud University Nijmegen
  • 2. Radboud University Medical Center
  • 1. ROR icon HAN University of Applied Sciences
  • 2. ROR icon Radboud University Medical Center
  • 3. ROR icon Radboud University Nijmegen
  • 4. LIESL JOOSTE PHYSIOTHERAPY

Description

Data and code related to:
SwiftTCR: Efficient computational docking protocol of TCRpMHC-I complexes using restricted rotation matrices


Table of contents (En)

  • AF3_SwiftTCR
    Results obtained from running either:

    • AlphaFold 3 (AF3) alone, or
    • SwiftTCR: Using SwiftTCR to model TCRpMHC using multiple AF3-generated TCR conformations together with pMHC structures modeled with PANDORA.
  • benchmark38set: 
    SwiftTCR benchmark results on the 38 pMHC-I benchmark set
    Benchmark dataset from Peacock & Chain (2021).
    • SwiftTCR_single
      SwiftTCR predictions using a single TCR conformation and a single pMHC conformation as input.
      Unbound experimental X-ray structures of both the TCR and pMHC were used.
    • SwiftTCR_ensemble
      SwiftTCR predictions using multiple AF3-generated TCR conformations together with unbound experimental X-ray pMHC structures as input.
    • A part is in another Zenodo:
      SwiftTCR_ensemble_3_swifttcr_output
      https://doi.org/10.5281/zenodo.20083389
  • docking_angle_statistics
    Crossing angles and incident angles calculated from 177 experimental TCR–pMHC-I structures available in the IMGT/PDB database (retrieved on 06/06/2023).
    The angle statistics were obtained from TCR3d as described by Lin et al. (2025).

Files

benchmark38set.zip

Files (40.7 GB)

Name Size
md5:8dc571012b14fd22a8f7cd9cc27c42f7
14.8 GB Download
md5:637e57e0b95a9b7e2ae46ac134a263df
25.9 GB Preview Download
md5:520c2842bdd756c8d2ba5a71907058a8
15.4 kB Download

Additional details

Related works

Is version of
Preprint: 10.1101/2024.05.27.596020 (DOI)

Dates

Accepted
2026-05-08

Software

Repository URL
https://github.com/X-lab-3D/swifttcr
Programming language
Python
Development Status
Active