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ORCIDJonathan D. Tyzack
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- affiliation: Unilever Centre for Molecular Science Informatics, Cambridge, UK
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2020 – today
- 2024
[j13]Ondrej Vavra, Jonathan D. Tyzack, Farzan Haddadi, Jan Stourac, Jirí Damborský, Stanislav Mazurenko, Janet M. Thornton, David Bednar:
Large-scale annotation of biochemically relevant pockets and tunnels in cognate enzyme-ligand complexes. J. Cheminformatics 16(1): 114 (2024)- 2022
- [j12]Charles Abreu Santana, Sandro C. Izidoro
, Raquel Cardoso de Melo Minardi, Jonathan D. Tyzack, António J. M. Ribeiro, Douglas E. V. Pires, Janet M. Thornton, Sabrina de Azevedo Silveira:
GRaSP-web: a machine learning strategy to predict binding sites based on residue neighborhood graphs. Nucleic Acids Res. 50(W1): 392-397 (2022) - 2020
- [j11]Mihaly Varadi, John M. Berrisford, Mandar S. Deshpande, Sreenath Nair, Aleksandras Gutmanas, David R. Armstrong, Lukás Pravda, Bissan Al-Lazikani, Stephen Anyango, Geoffrey J. Barton, Karel Berka, Tom L. Blundell, Neera Borkakoti, Jose M. Dana, Sayoni Das, Sucharita Dey, Patrizio Di Micco, Franca Fraternali, Toby J. Gibson, Manuela Helmer-Citterich, David Hoksza, Liang-Chin Huang, Rishabh Jain, Harry Jubb, Christos C. Kannas, Natarajan Kannan, Jaroslav Koca, Radoslav Krivák, Manjeet Kumar, Emmanuel D. Levy, Fábio Madeira, M. S. Madhusudhan, Henry J. Martell, Stuart A. MacGowan, Jake E. McGreig, Saqib Mir, Abhik Mukhopadhyay, Luca Parca, Typhaine Paysan-Lafosse, Leandro G. Radusky, António J. M. Ribeiro, Luis Serrano, Ian Sillitoe, Gulzar Singh, Petr Skoda, Radka Svobodová Vareková, Jonathan D. Tyzack, Alfonso Valencia, Eloy D. Villasclaras-Fernández, Wim F. Vranken, Mark N. Wass, Janet M. Thornton, Michael J. E. Sternberg, Christine A. Orengo, Sameer Velankar:
PDBe-KB: a community-driven resource for structural and functional annotations. Nucleic Acids Res. 48(Database-Issue): D344-D353 (2020)
2010 – 2019
- 2019
- [j10]Abhik Mukhopadhyay, Neera Borkakoti, Lukás Pravda, Jonathan D. Tyzack, Janet M. Thornton, Sameer Velankar:
Finding enzyme cofactors in Protein Data Bank. Bioinform. 35(18): 3510-3511 (2019) - 2018
- [j9]Jonathan D. Tyzack, António J. M. Ribeiro, Neera Borkakoti, Janet M. Thornton:
Transform-MinER: transforming molecules in enzyme reactions. Bioinform. 34(20): 3597-3599 (2018) - [j8]Peter A. Hunt, Matthew D. Segall, Jonathan D. Tyzack:
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound. J. Comput. Aided Mol. Des. 32(4): 537-546 (2018) - [j7]António J. M. Ribeiro, Gemma L. Holliday, Nicholas Furnham, Jonathan D. Tyzack, Katherine Ferris, Janet M. Thornton:
Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites. Nucleic Acids Res. 46(Database-Issue): D618-D623 (2018) - 2016
- [j6]Jonathan D. Tyzack, Peter A. Hunt, Matthew D. Segall:
Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations. J. Chem. Inf. Model. 56(11): 2180-2193 (2016) - 2014
- [j5]Jonathan D. Tyzack, Hamse Y. Mussa, Mark J. Williamson, Johannes Kirchmair, Robert C. Glen:
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers. J. Cheminformatics 6(1): 29 (2014) - 2013
- [j4]Jonathan D. Tyzack, Mark J. Williamson, Rubben Torella, Robert C. Glen:
Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis. J. Chem. Inf. Model. 53(6): 1294-1305 (2013) - [j3]Johannes Kirchmair, Mark J. Williamson, Avid M. Afzal, Jonathan D. Tyzack, Alison P. K. Choy, Andrew Howlett, Patrik Rydberg, Robert C. Glen:
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes. J. Chem. Inf. Model. 53(11): 2896-2907 (2013) - 2012
- [j2]Jonathan D. Tyzack, Hamse Y. Mussa, Robert C. Glen:
Probabilistic classifier: generated using randomised sub-sampling of the feature space. J. Cheminformatics 4(S-1): 40 (2012) - [j1]Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen:
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms. J. Chem. Inf. Model. 52(3): 617-648 (2012)
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