O'Mara lab
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polyconstruct
polyconstruct PublicA Python library for constructing polymer topologies and coordinates
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epithelial_membrane
epithelial_membrane PublicSupplementary data files for "A Computational Model Replicating the Lipid Composition of a Human Epithelial Plasma Membrane "
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Repositories
- MD_run_scripts Public
Standard scripts, MDP files and other documentation for running MD simulations
- Closed_GlyR_alpha2 Public
This repository contains the files required to repeat Molecular Dynamics simulations of closed GlyR alpha2 homopentamer in a POPC/CHOL membrane as a collaborative project led by the lab of Prof Robert Harvey
- QacA_Structural_2026 Public
This repository contains files required to replicate Molecular Dynamics simulations in publication <pending>
- GlyT2_2024 Public
- Prostate_epithelial_plasma_membranes Public
Molecular Dynamics Simulation Data for healthy, benign hyperplastic, lymph metastatic, bone metastatic and brain metastatic prostate epithelial mebranes.
- Pneumococcal_cell_membranes Public
Molecular Dynamics simulation files of the Streptococcus pneumoniae cell membrane model under four growth conditions: galatose, glucose, glucose +C16:0, glucose + C18:1. The lipidomics of this were supplied by the lab of A/Prof Bart Eijkelkamp.
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