Tim Dudgeon

Computer Science · Physical Sciences

7h-index643citations21works0.02yr avg
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Research Topics

Computational Drug Discovery Methods(10), Microbial Natural Products and Biosynthesis(3), Glycosylation and Glycoproteins Research(3), Risk and Safety Analysis(3), Click Chemistry and Applications(3)

Publications20 total

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Science·2023· 159 citedOpen Access
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
Journal of Chemical Information and Modeling·2023· 20 citedOpen Access
The use of a graph database is a complementary approach to a classical similarity search for identifying commercially available fragment merges
2022Open Access
Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease
Journal of Cheminformatics·2022· 8 citedOpen Access
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
Cell stem cell·2021· 258 citedOpen Access
Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease
2021· 2 citedOpen Access
Virtual screening of SARS-Cov-2 Main protease fragment screening hits
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Virtual screening of SARS-Cov-2 Main protease fragment screening hits
Zenodo (CERN European Organization for Nuclear Research)·2020Open Access
Compound database and subsets generated by the fragment network for stage 3 of the PHIP2 SAMPL7 Challenge
Zenodo (CERN European Organization for Nuclear Research)·2019Open Access
Compound database and subsets generated by the fragment network for stage 3 of the PHIP2 SAMPL7 Challenge
Figshare·2019· 1 citedOpen Access
Compute and data federation (Deliverable 2.5)
Zenodo (CERN European Organization for Nuclear Research)·2019Open Access
Final API available for internal and external service providers (Deliverable 2.4)
Zenodo (CERN European Organization for Nuclear Research)·2019Open Access
OpenRiskNet Part I: Development of an open e-infrastructure predictive toxicology and risk assessment
Faculty of 1000 Research Ltd·2019Open Access
OpenRiskNet Part II: Predictive toxicology based on adverse outcome pathways and biological pathway analysis
Faculty of 1000 Research Ltd·2019Open Access
Report Of The Service Integration With Openrisknet - Initial Deployment (Deliverable 4.1)
Zenodo (CERN European Organization for Nuclear Research)·2018Open Access
OpenRiskNet, an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment
Toxicology Letters·2018· 3 citedOpen Access
OpenRiskNet, an open e-infrastructure to support data sharing, knowledge integration, in silico analysis and modelling in risk assessment
2018
Representation of Markush structures: from molecules toward patents
Journal of Cheminformatics·2011· 6 citedOpen Access
For the record: Chemical modification of a variant of human MIP‐1α; implications for dimer structure
Protein Science·2000· 10 citedOpen Access
Identification of Amino Acid Residues Critical for Aggregation of Human CC Chemokines Macrophage Inflammatory Protein (MIP)-1α, MIP-1β, and RANTES
Journal of Biological Chemistry·1999· 154 citedOpen Access

Frequent Co-authors

F. von Delft(7), Thomas E. Exner(6), Danyel Jennen(6), Egon Willighagen(5), Haralambos Sarimveis(4), Ola Spjuth(4), John D. Chodera(3), Lucian Farcal(3), Chris T. Evelo(3), Philip Doganis(3), Iseult Lynch(3), Georgios V. Gkoutos(3), Stefan Krämer(3), Paul Jennings(3), Frédéric Y. Bois(3), Pantelis Karatzas(3), Jitske Jansen(2), Hagit Achdout(2), A. Aimon(2), Elad Bar-David(2)