Jonathan D. Tyzack

14 papers Journal 14
YearRankTypeTitle / Venue / Authors
2024 J jnl
Large-scale annotation of biochemically relevant pockets and tunnels in cognate enzyme-ligand complexes.
J. Cheminformatics
Ondrej Vavra, Jonathan D. Tyzack, Farzan Haddadi, Jan Stourac, Jirí Damborský, Stanislav Mazurenko, Janet M. Thornton, David Bednar
2022 J jnl
GRaSP-web: a machine learning strategy to predict binding sites based on residue neighborhood graphs.
Nucleic Acids Res.
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
2020 J jnl
GRaSP: a graph-based residue neighborhood strategy to predict binding sites.
Bioinform.
Charles Abreu Santana, Sabrina de Azevedo Silveira, João P. A. Moraes, Sandro C. Izidoro, Raquel Cardoso de Melo Minardi, António J. M. Ribeiro, Jonathan D. Tyzack, Neera Borkakoti, Janet M. Thornton
2020 J jnl
PDBe-KB: a community-driven resource for structural and functional annotations.
Nucleic Acids Res.
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
2019 J jnl
Finding enzyme cofactors in Protein Data Bank.
Bioinform.
Abhik Mukhopadhyay, Neera Borkakoti, Lukás Pravda, Jonathan D. Tyzack, Janet M. Thornton, Sameer Velankar
2018 J jnl
Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites.
Nucleic Acids Res.
António J. M. Ribeiro, Gemma L. Holliday, Nicholas Furnham, Jonathan D. Tyzack, Katherine Ferris, Janet M. Thornton
2018 J jnl
Transform-MinER: transforming molecules in enzyme reactions.
Bioinform.
Jonathan D. Tyzack, António J. M. Ribeiro, Neera Borkakoti, Janet M. Thornton
2018 J jnl
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound.
J. Comput. Aided Mol. Des.
Peter A. Hunt, Matthew D. Segall, Jonathan D. Tyzack
2016 J jnl
Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations.
J. Chem. Inf. Model.
Jonathan D. Tyzack, Peter A. Hunt, Matthew D. Segall
2014 J jnl
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.
J. Cheminformatics
Jonathan D. Tyzack, Hamse Y. Mussa, Mark J. Williamson, Johannes Kirchmair, Robert C. Glen
2013 J jnl
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes.
J. Chem. Inf. Model.
Johannes Kirchmair, Mark J. Williamson, Avid M. Afzal, Jonathan D. Tyzack, Alison P. K. Choy, Andrew Howlett, Patrik Rydberg, Robert C. Glen
2013 J jnl
Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis.
J. Chem. Inf. Model.
Jonathan D. Tyzack, Mark J. Williamson, Rubben Torella, Robert C. Glen
2012 J jnl
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.
J. Chem. Inf. Model.
Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen
2012 J jnl
Probabilistic classifier: generated using randomised sub-sampling of the feature space.
J. Cheminformatics
Jonathan D. Tyzack, Hamse Y. Mussa, Robert C. Glen