Research Data Leeds Repository
![[feed]](/style/images/feed-icon-14x14.png){kind=icon}
Systematic simulation of the interactions of Pleckstrin homology domains with membranes: dataset
Citation
Le Huray, Kyle I. P. and Kalli, Antreas (2022) Systematic simulation of the interactions of Pleckstrin homology domains with membranes: dataset. University of Leeds. [Dataset] https://doi.org/10.5518/1085
Dataset description
Pleckstrin homology (PH) domains can recruit proteins to membranes by recognition of phosphatidylinositol phosphate (PIP) lipids. Several family members are linked to diseases including cancer. In Le Huray et al., "Systematic simulation of the interactions of Pleckstrin homology domains with membranes", Science Advances, 2022, we report the systematic simulation of the interactions of 100 mammalian PH domains with PIP-containing membranes. This dataset contains raw coarse-grained molecular dynamics (CG MD) simulation data for all 100 individual PH domains.
| Keywords: | molecular dynamics simulations, membrane proteins, cell signalling, biochemistry, biophysics, computational biochemistry | ||||||
|---|---|---|---|---|---|---|---|
| Subjects: | C000 - Biological sciences > C700 - Molecular biology, biophysics & biochemistry | ||||||
| Divisions: | Faculty of Biological Sciences > Astbury Centre for Structural Molecular Biology | ||||||
| Related resources: |
|
||||||
| License: | Creative Commons Attribution 4.0 International (CC BY 4.0) | ||||||
| Date deposited: | 30 Jun 2022 20:07 | ||||||
| URI: | https://archive.researchdata.leeds.ac.uk/id/eprint/992 | ||||||
Files
Documentation
Readme [11kB]  |
Readme [11kB] 
Readme [11kB] Data
PH_domain_simulations_part1 [6GB] |
PH_domain_simulations_part2 [6GB] |
PH_domain_simulations_part3 [6GB] |
PH_domain_simulations_part4 [6GB] |
PH_domain_simulations_part5 [6GB] |
PH_domain_simulations_part6 [6GB] |
PH_domain_simulations_part7 [6GB] |
PH_domain_simulations_part8 [6GB] |
PH_domain_simulations_part9 [6GB] |
PH_domain_simulations_part10 [6GB] |