Projects per year
Description
# FRAGSYS
This repository contains the fragment screening analysis pipeline (**FRAGSYS**) used for the analysis of our manuscript [_Classification of likely functional state for ligand binding sites identified from fragment screening_](https://doi.org/10.21203/rs.3.rs-3185838/v1).
Our pipeline for the analysis of binding sites, **FRAGSYS**, can be executed from the jupyter notebook [`running_fragsys.ipynb`](running_fragsys.ipynb). The input for this pipeline is a table containing a series of [PDB](https://www.ebi.ac.uk/pdbe/) codes and their respective [UniProt](https://www.uniprot.org/) accession identifiers.
Full installation manual added.
This repository contains the fragment screening analysis pipeline (**FRAGSYS**) used for the analysis of our manuscript [_Classification of likely functional state for ligand binding sites identified from fragment screening_](https://doi.org/10.21203/rs.3.rs-3185838/v1).
Our pipeline for the analysis of binding sites, **FRAGSYS**, can be executed from the jupyter notebook [`running_fragsys.ipynb`](running_fragsys.ipynb). The input for this pipeline is a table containing a series of [PDB](https://www.ebi.ac.uk/pdbe/) codes and their respective [UniProt](https://www.uniprot.org/) accession identifiers.
Full installation manual added.
| Date made available | 1 Feb 2024 |
|---|---|
| Publisher | Zenodo |
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The Jalview Resource for Biological Sequence, Structure and Function Analysis: 2019 and Beyond
Barton, G. (Investigator) & Procter, J. (Investigator)
1/01/21 → 31/12/25
Project: Research
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The Dundee Resource for Sequence Analysis and Structure Prediction. RELATED TO 36262A, B, C AND D
Barton, G. (Investigator)
Biotechnology and Biological Sciences Research Council
1/09/18 → 31/08/24
Project: Research
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EASTBIO Doctoral Training Partnership Studentships
MacKintosh, C. (Investigator)
Biotechnology and Biological Sciences Research Council
1/10/15 → 30/09/19
Project: Research
Research output
- 1 Article
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Classification of likely functional class for ligand binding sites identified from fragment screening
Utgés, J. S., MacGowan, S. A., Ives, C. M. & Barton, G. J. (Lead / Corresponding author), 13 Mar 2024, In: Communications Biology. 7, 13 p., 320.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Citations (Scopus)65 Downloads (Pure)