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HADDOCK membrane protein-protein complex models

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Data DOI: 10.15785/SBGRID/618 | ID: 618

Bonvin Laboratory, Utrecht University

Release Date: Oct. 29, 2018

Data Access Instructions

1. If this dataset is locally available, it should be accessable at /programs/datagrid/618

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

'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/618 .' (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://sbgrid.icm.uu.se/10.15785/SBGRID/618 .' (Uppsala University, Sweden)

'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/618 .' (Institut Pasteur de Montevideo, Uruguay)

'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/618 .' (Shanghai Institutes for Biological Sciences, China)

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

'cd 618 ; shasum -c files.sha'

Storage requirements: 1.3T

Biological Sample:

HADDOCK membrane protein-protein complex models

Dataset Type:

Structural Model

Subject Composition:

Protein

Collection Facility:

N/A

Data Creation Date:

July 1, 2018

Related Datasets:

None


Cite this Dataset

Koukos, P; Bonvin, AMJJ. 2018. "HADDOCK membrane protein-protein complex models.", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/618.

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Dataset Description

Decoys of a membrane protein complex docking benchmark. The decoys were obtained after docking with the HADDOCK webserver (v2.2) and they belong in two sets which reflect two extreme docking scenarios. One where we would have no information about the nature of the interaction and we use random restraints to drive the docking, and one where we use restraints extracted from the interface of the native complex to drive the docking. We have generated 50800 structures for the first scenario, distributed in three stages: 50000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively. We have generated 10800 structures for the second scenario distributed in three stages: 10000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively.

Project Members

Name Additional Roles Affiliation While Working on the Project
Panagiotis KoukosData Collector, DepositorPhD student
Alexandre MJJ BonvinPI
Alexandre BonvinPIUtrecht University

Reprocessing Instructions

none


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.