List of works - Jonathan D Tyzack

A global analysis of function and conservation of catalytic residues in enzymes

scientific article published on 03 December 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?

article

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

scientific article published on 15 January 2019

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms

scientific article (publication date: 26 March 2012)

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

scientific article (publication date: 2014)

Exploring Chemical Biosynthetic Design Space with Transform-MinER

scientific article published on 05 November 2019

Exploring Enzyme Evolution from Changes in Sequence, Structure, and Function

scientific article published on 01 January 2019

FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes

scientific article published on 12 November 2013

Finding enzyme cofactors in Protein Data Bank

scientific article published on 01 September 2019

Identifying pseudoenzymes using functional annotation. How loss of function correlates with mutations in the catalytic site

scientific article published on 16 November 2019

Investigating and Predicting how Biology Changes Molecules and Their Properties

scientific article published on 13 May 2014

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

scientific article published on 2 November 2017

Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations

scientific article

Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis

scientific article published on 24 May 2013

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

scientific article

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

scientific article

Transform-MinER: Transforming Molecules in Enzyme Reactions

scientific article published on 01 October 2018

Understanding enzyme function evolution from a computational perspective

scientific article published on 7 September 2017

WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound.

scientific article published on 20 February 2018

List of works by Jonathan D Tyzack

A global analysis of function and conservation of catalytic residues in enzymes

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?

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

Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms

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

Exploring Chemical Biosynthetic Design Space with Transform-MinER

Exploring Enzyme Evolution from Changes in Sequence, Structure, and Function

FAst MEtabolizer (FAME): A rapid and accurate predictor of sites of metabolism in multiple species by endogenous enzymes

Finding enzyme cofactors in Protein Data Bank

Identifying pseudoenzymes using functional annotation. How loss of function correlates with mutations in the catalytic site

Investigating and Predicting how Biology Changes Molecules and Their Properties

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

Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations

Prediction of cytochrome P450 xenobiotic metabolism: tethered docking and reactivity derived from ligand molecular orbital analysis

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

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

Transform-MinER: Transforming Molecules in Enzyme Reactions

Understanding enzyme function evolution from a computational perspective

WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound.