Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

por Tyzack, Jonathan D., Kirchmair, Johannes
Publicado 2019

Probabilistic classifier: generated using randomised sub-sampling of the feature space

por Tyzack, Jonathan D, Mussa, Hamse Y, Glen, Robert C
Publicado 2012

Transform-MinER: transforming molecules in enzyme reactions

por Tyzack, Jonathan D, Ribeiro, Antonio J M, Borkakoti, Neera, Thornton, Janet M
Publicado 2018

Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers

por Tyzack, Jonathan D, Mussa, Hamse Y, Williamson, Mark J, Kirchmair, Johannes, Glen, Robert C
Publicado 2014

Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates

por Tyzack, Jonathan D., Fernando, Laurent, Ribeiro, Antonio J.M., Borkakoti, Neera, Thornton, Janet M.
Publicado 2018

Finding enzyme cofactors in Protein Data Bank

por Mukhopadhyay, Abhik, Borkakoti, Neera, Pravda, Lukáš, Tyzack, Jonathan D, Thornton, Janet M, Velankar, Sameer
Publicado 2019

EzMechanism: an automated tool to propose catalytic mechanisms of enzyme reactions

por Ribeiro, Antonio J. M., Riziotis, Ioannis G., Tyzack, Jonathan D., Borkakoti, Neera, Thornton, Janet M.
Publicado 2023

Using mechanism similarity to understand enzyme evolution

por Ribeiro, António J. M., Riziotis, Ioannis G., Tyzack, Jonathan D., Borkakoti, Neera, Thornton, Janet M.
Publicado 2022

Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites

por Ribeiro, António J M, Holliday, Gemma L, Furnham, Nicholas, Tyzack, Jonathan D, Ferris, Katherine, Thornton, Janet M
Publicado 2018

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms

por Kirchmair, Johannes, Williamson, Mark J., Tyzack, Jonathan D., Tan, Lu, Bond, Peter J., Bender, Andreas, Glen, Robert C.
Publicado 2012

Structure-Guided Engineering of a Family IV Cold-Adapted Esterase Expands Its Substrate Range

por Noby, Nehad, Johnson, Rachel L., Tyzack, Jonathan D., Embaby, Amira M., Saeed, Hesham, Hussein, Ahmed, Khattab, Sherine N., Rizkallah, Pierre J., Jones, D. Dafydd
Publicado 2022

GRaSP-web: a machine learning strategy to predict binding sites based on residue neighborhood graphs

por Santana, Charles A, Izidoro, Sandro C, de Melo-Minardi, Raquel C, Tyzack, Jonathan D, Ribeiro, António J M, Pires, Douglas E V, Thornton, Janet M, de A. Silveira, Sabrina
Publicado 2022