Draft:John J. Irwin: Difference between revisions
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{{Infobox scientist |
{{Infobox scientist |
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| name = John |
| name = John Joseph Irwin |
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| birth_date = {{birth date|1963|5|13|mf=y}} |
| birth_date = {{birth date|1963|5|13|mf=y}} |
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| fields = [[Computational chemistry]] |
| fields = [[Computational chemistry]] |
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* [[ETH Zurich]] ([[PhD]]) |
* [[ETH Zurich]] ([[PhD]]) |
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}} |
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| thesis_title = {{cite web |title= The Cambridge Structural Database as a new scientific tool |url=https://www.research-collection.ethz.ch/handle/20.500.11850/140500 |access-date=2024-07-27}}</ref> |
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| thesis_year = 1991 |
| thesis_year = 1991 |
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Revision as of 19:08, 27 July 2024
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|  |
John Joseph Irwin | |
|---|---|
| Born | May 13, 1963 |
| Education | |
| Known for | |
| Scientific career | |
| Fields | Computational chemistry |
| Institutions | |
| Thesis | "The Cambridge Structural Database as a new scientific tool". Retrieved 2024-07-27.</ref> (1991) |
| Doctoral advisor | Jack Dunitz |
John J. Irwin is a Canadian computational chemist and an associate professor in the Department of Pharmaceutical Chemistry at the University of California, San Francisco. He specializes in the development of drug design methods using both structure-based and ligand-based approaches. Irwin has contributed to several projects and collaborations in the field of computational chemistry.
Biography
Irwin earned his Ph.D. in organic chemistry under the supervision of Jack D. Dunitz at ETH Zurich in 1991. He worked at a molecular modeling start-up before joining Gérard Bricogne's team at the Medical Research Council's Laboratory of Molecular Biology, where he developed software for macromolecular crystallographic structure solution and refinement, including the BUSTER and SHARP programs. Irwin later served as a staff scientist at the European Bioinformatics Institute (EMBL-EBI) in Cambridge, where he worked on the PDB cleanup project. In 2000, he moved to the Northwestern University Medical School. Since then, he has focused on the development of DOCK[1], ZINC[2], and the similarity ensemble approach (SEA)[3]. [4]
References
- ^ "A practical guide to large-scale docking". Nature. 2021. Retrieved 2024-07-26.
- ^ "ZINC: A Free Tool to Discover Chemistry for Biology". Journal of Chemical Information and Modeling. 2012.
- ^ "Quantifying the relationships among drug classes". Nature. 2009.
- ^ "John J. Irwin's Lab". University of California, San Francisco. Retrieved 2024-07-26.
External links
- [John Irwin's Lab at UCSF](https://irwinlab.compbio.ucsf.edu/people)