Dataset of TCR-pMHC docked models

dataset logo thumbnail

Data DOI: 10.15785/SBGRID/825 | ID: 825

Chain Laboratory, University College London

Release Date: May 21, 2021

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/825

2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:

'rsync -av rsync:// .' (Harvard Medical School, USA)

Depending on your location, faster access may be available from a Tier 1 site closer to your location

'rsync -av rsync:// .' (Uppsala University, Sweden)

'rsync -av rsync:// .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync:// .' (Shanghai Institutes for Biological Sciences, China)

3. After the transfer is completed, please issue the following command to verify data integrity:

'cd 825 ; shasum -c files.sha'

Storage requirements: 17G

Biological Sample:

Dataset of TCR-pMHC docked models

Dataset Type:

Structural Model

Subject Composition:


Collection Facility:

University College London

Data Creation Date:

Jan. 1, 2021

Related Datasets:


Cite this Dataset

Peacock, T; Chain, B. 2021. "Dataset of TCR-pMHC docked models.", SBGrid Data Bank, V1,

Download Citation

Dataset Description

This dataset comprises bound TCR-pMHC models for 44 TCR docking benchmark cases. These models were produced using four docking platforms - ClusPro, HADDOCK, LightDock and ZDOCK - as a comparative study of docking software performance in the context of TCR-pMHC modelling. Each docking case was provided to the software platforms along with varying levels of detail about the binding interface in the form of four docking scenarios, to assess how effectively each platform made use of this additional information to improve modeling accuracy. A manuscript reporting these results has been submitted for publication.

Project Members

Name Additional Roles Affiliation While Working on the Project
Thomas PeacockData Collector, DepositorUniversity College London
Benny ChainUniversity College London
Benny ChainPI University College London

Reprocessing Instructions


License and Terms of use

License: CC0

Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.