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

Nucleic acids research, 2018-01, Vol.46 (D1), p.D618-D623

2018

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A computational method for predicting the most likely evolutionary trajectories in the stepwise accumulation of resistance mutations

eLife, 2023-12, Vol.12

2023

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The Classification and Evolution of Enzyme Function

Biophysical journal, 2015-09, Vol.109 (6), p.1082-1086

2015

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The Catalytic Site Atlas 2.0: cataloging catalytic sites and residues identified in enzymes

Nucleic acids research, 2014-01, Vol.42 (Database issue), p.D485-D489

2014

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Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches

Scientific reports, 2020-10, Vol.10 (1), p.18120-18120, Article 18120

2020

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EC-BLAST: a tool to automatically search and compare enzyme reactions

Nature methods, 2014-02, Vol.11 (2), p.171-174

2014

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In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery

Frontiers in chemistry, 2020-02, Vol.8, p.93

2020

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New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures

Nucleic acids research, 2013-01, Vol.41 (Database issue), p.D490-D498

2013

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Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni

Scientific reports, 2024-01, Vol.14 (1), p.1582-1582, Article 1582

2024

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Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

PLoS computational biology, 2018-10, Vol.14 (10), p.e1006515-e1006515

2018

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Comparisons of Allergenic and Metazoan Parasite Proteins: Allergy the Price of Immunity

PLoS computational biology, 2015-10, Vol.11 (10), p.e1004546

2015

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Exploring the evolution of novel enzyme functions within structurally defined protein superfamilies

PLoS computational biology, 2012-03, Vol.8 (3), p.e1002403-e1002403

2012

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Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence

Frontiers in immunology, 2021-05, Vol.12, p.642383-642383

2021

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Combining structure and genomics to understand antimicrobial resistance

Computational and structural biotechnology journal, 2020-01, Vol.18, p.3377-3394

2020

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Editorial: Current approaches in infectious disease drug discovery

Frontiers in chemistry, 2022-11, Vol.10, p.1102402-1102402

2022

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Structural and Genomic Insights Into Pyrazinamide Resistance in Mycobacterium tuberculosis Underlie Differences Between Ancient and Modern Lineages

Frontiers in molecular biosciences, 2021-07, Vol.8, p.619403-619403

2021

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Missing in action: enzyme functional annotations in biological databases

Nature chemical biology, 2009-08, Vol.5 (8), p.521-525

2009

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Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

Artificial intelligence in the life sciences, 2021-12, Vol.1, p.100028, Article 100028

2021

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Complementary Sources of Protein Functional Information: The Far Side of GO

Methods in molecular biology (Clifton, N.J.), 2017, Vol.1446, p.263

Furnham, Nicholas

2017

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Structural basis for inhibition of homologous recombination by the RecX protein

The EMBO journal, 2008-08, Vol.27 (16), p.2259-2269

2008

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Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

Computational and structural biotechnology journal, 2019-01, Vol.17, p.352-361

2019

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FunTree: advances in a resource for exploring and contextualising protein function evolution

Nucleic acids research, 2016-01, Vol.44 (D1), p.D317-D323

2016

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To what extent do structural changes in catalytic metal sites affect enzyme function?

Journal of inorganic biochemistry, 2018-02, Vol.179, p.40-53

2018

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CATH: comprehensive structural and functional annotations for genome sequences

Nucleic acids research, 2015-01, Vol.43 (Database issue), p.D376-D381

2015

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Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis

Scientific reports, 2018-10, Vol.8 (1), p.15356-12, Article 15356

2018

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

A computational method for predicting the most likely evolutionary trajectories in the stepwise accumulation of resistance mutations

The Classification and Evolution of Enzyme Function

The Catalytic Site Atlas 2.0: cataloging catalytic sites and residues identified in enzymes

Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches

EC-BLAST: a tool to automatically search and compare enzyme reactions

In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery

New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures

Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

Comparisons of Allergenic and Metazoan Parasite Proteins: Allergy the Price of Immunity

Exploring the evolution of novel enzyme functions within structurally defined protein superfamilies

Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence

Combining structure and genomics to understand antimicrobial resistance

Editorial: Current approaches in infectious disease drug discovery

Structural and Genomic Insights Into Pyrazinamide Resistance in Mycobacterium tuberculosis Underlie Differences Between Ancient and Modern Lineages

Missing in action: enzyme functional annotations in biological databases

Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

Complementary Sources of Protein Functional Information: The Far Side of GO

Structural basis for inhibition of homologous recombination by the RecX protein

Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

FunTree: advances in a resource for exploring and contextualising protein function evolution

To what extent do structural changes in catalytic metal sites affect enzyme function?

CATH: comprehensive structural and functional annotations for genome sequences

Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis

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