Research Data Leeds Repository

Molecular dynamics simulation set up files and compressed trajectories for 'Adhirons inhibit immune complex binding to FcγRIIIa by competition and allostery.'

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

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

License:

Creative Commons Attribution 4.0 International (CC BY 4.0)

Date deposited:

04 Dec 2017 09:15