Jonathan D. Tyzack
Jonathan D. Tyzack
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Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms
J Kirchmair, MJ Williamson, JD Tyzack, L Tan, PJ Bond, A Bender, ...
Journal of chemical information and modeling 52 (3), 617-648, 2012
FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes
J Kirchmair, MJ Williamson, AM Afzal, JD Tyzack, APK Choy, A Howlett, ...
Journal of chemical information and modeling 53 (11), 2896-2907, 2013
Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites
AJM Ribeiro, GL Holliday, N Furnham, JD Tyzack, K Ferris, JM Thornton
Nucleic acids research 46 (D1), D618-D623, 2018
Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis
JD Tyzack, MJ Williamson, R Torella, RC Glen
Journal of chemical information and modeling 53 (6), 1294-1305, 2013
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers
JD Tyzack, HY Mussa, MJ Williamson, J Kirchmair, RC Glen
Journal of cheminformatics 6 (1), 29, 2014
Understanding enzyme function evolution from a computational perspective
JD Tyzack, N Furnham, I Sillitoe, CM Orengo, JM Thornton
Current opinion in structural biology 47, 131-139, 2017
Computational methods and tools to predict cytochrome P450 metabolism for drug discovery
JD Tyzack, J Kirchmair
Chemical biology & drug design 93 (4), 377-386, 2019
Predicting regioselectivity and lability of cytochrome P450 metabolism using quantum mechanical simulations
JD Tyzack, PA Hunt, MD Segall
Journal of Chemical Information and Modeling 56 (11), 2180-2193, 2016
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound
PA Hunt, MD Segall, JD Tyzack
Journal of computer-aided molecular design 32 (4), 537-546, 2018
PDBe-KB: a community-driven resource for structural and functional annotations
Nucleic Acids Research 48 (D1), D344-D353, 2020
Ranking enzyme structures in the PDB by bound ligand similarity to biological substrates
JD Tyzack, L Fernando, AJM Ribeiro, N Borkakoti, JM Thornton
Structure 26 (4), 565-571. e3, 2018
Finding enzyme cofactors in Protein Data Bank
A Mukhopadhyay, N Borkakoti, L Pravda, JD Tyzack, JM Thornton, ...
Bioinformatics 35 (18), 3510-3511, 2019
Exploring enzyme evolution from changes in sequence, structure, and function
JD Tyzack, N Furnham, I Sillitoe, CM Orengo, JM Thornton
Computational Methods in Protein Evolution, 263-275, 2019
Can the inhibition of cytochrome P450 in aquatic invertebrates due to azole fungicides be estimated with in silico and in vitro models and extrapolated between species?
M Gottardi, JD Tyzack, A Bender, N Cedergreen
Aquatic Toxicology 201, 11-20, 2018
A global analysis of function and conservation of catalytic residues in enzymes
AJM Ribeiro, JD Tyzack, N Borkakoti, GL Holliday, JM Thornton
Journal of Biological Chemistry 295 (2), 314-324, 2020
Transform-MinER: transforming molecules in enzyme reactions
JD Tyzack, AJM Ribeiro, N Borkakoti, JM Thornton
Bioinformatics 34 (20), 3597-3599, 2018
Exploring Chemical Biosynthetic Design Space with Transform-MinER
JD Tyzack, AJM Ribeiro, N Borkakoti, JM Thornton
ACS Synthetic Biology 8 (11), 2494-2506, 2019
Investigating and predicting how biology changes molecules and their properties
JD Tyzack, RC Glen
Molecular informatics 33 (6‐7), 443-445, 2014
Note on the Rademacher-Walsh polynomial basis functions
HY Mussa, JD Tyzack, RC Glen
Journal of Mathematics Research 5 (1), 114, 2013
Identifying pseudoenzymes using functional annotation. How loss of function correlates with mutations in the catalytic site
AJM Ribeiro, JD Tyzack, N Borkakoti, JM Thornton
The FEBS journal, 2019
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