Research Data Leeds Repository
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Molecular dynamics simulation set up files and compressed trajectories for 'Adhirons inhibit immune complex binding to FcγRIIIa by competition and allostery.'
Citation
Waterhouse, Mark P. and Harris, Sarah A. (2017) Molecular dynamics simulation set up files and compressed trajectories for 'Adhirons inhibit immune complex binding to FcγRIIIa by competition and allostery.'. University of Leeds. [Dataset] https://doi.org/10.5518/258
This item is part of the Morgan group collection.Dataset description
Here we provide the input coordinate files and MD input files to reproduce the simulation trajectories. The trajectories themselves are available in compressed format.
| Additional information: | Simulations were performed using the MARC1 and ARC2 supercomputer facilities at the University of Leeds | ||||||
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| Keywords: | fc gamma receptor, fcgr, autoimmunity, adhiron, affimer, fcgr3a, fcgriiia, fcgr3b, fcgriiib, dynamics, biophysics | ||||||
| Subjects: | C000 - Biological sciences > C700 - Molecular biology, biophysics & biochemistry | ||||||
| Divisions: | Faculty of Engineering and Physical Sciences > School of Physics and Astronomy | ||||||
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| License: | Creative Commons Attribution 4.0 International (CC BY 4.0) | ||||||
| Date deposited: | 04 Dec 2017 09:15 | ||||||
| URI: | https://archive.researchdata.leeds.ac.uk/id/eprint/287 | ||||||
Files
Documentation
Dataset description [1kB]  |
List of files [31kB] |
Dataset description [1kB] 
Dataset description [1kB] Data
Input files [4MB] |
Analysis files [1kB] |
fcgriiia adf4 simulations [220MB] |
fcgriiia adg3 simulations [213MB] |
fcgriiib-na2 adf4 simulations [218MB] |
fcgriiib-na2 adg3 simulations [212MB] |