Science Score: 23.0%
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Last synced: 11 months ago
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Druggability analysis of SARS-CoV-2
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- Stars: 2
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Created over 6 years ago
· Last pushed about 6 years ago
https://github.com/a-r-j/covid/blob/master/
[](https://www.repostatus.org/#active) # covid Druggability analysis of SARS-CoV-2 We examine pockets on the experimentally determined and modelled proteome of SARS-CoV-2. We extend this to look for binding pockets that arise from complex formation and pockets that can be targeted to disrupt protein-protein interactions. ## Requirements 1. fPocket Linux install: ```bash git clone https://github.com/Discngine/fpocket.git cd fpocket make sudo make install ``` 2. [EBI PISA](https://www.ccp4.ac.uk/) ## Data 1. Structures `experimental_structures` - Experimental Structures collected from PDB `korkin_lab/IndividualModels` `korkin_lab/IntraViralComplexes` `korkin_lab/ViralHumanComplexes` Collected from Korkin Lab `deepmind_structures` - Models produced by AlphaFold `AlphaFold_refined` - Alphafold models refined by Feig Lab `FeigLab` - Models produced by Feig Lab 2. Pockets Same directory structure as above. Pockets generated by `fPocket`. Pocket scores parsed by `parse_pocket_scores.ipynb` to produce the score index files in `/pockets/` 3. Interfaces Produced from models using EBI PISA
Owner
- Name: Arian Jamasb
- Login: a-r-j
- Kind: user
- Location: Basel
- Company: University of Cambridge
- Website: jamasb.io
- Twitter: arian_jamasb
- Repositories: 32
- Profile: https://github.com/a-r-j
Principal ML Scientist @PrescientDesign / Tensor Jockey / PhD @ University of Cambridge Prev: MILA, Google X, Relation Therapeutic
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