Tom L. Blundell

HANSEN: An Integrated Structural and Functional Proteome Resource for Structure-Guided Drug Discovery in Mycobacterium leprae

Web resource offering predicted monomeric and oligomeric structures for 1,603 M. leprae proteins, with pockets, epitope scores, essentiality and a target priority ranking, plus a nanopore resistance-calling module.

Insights from aquaporin structures into drug-resistant sleeping sickness

This study determines the structure of TbAQP2 bound to drugs and glycerol, revealing how mutations in the channel lead to drug resistance in Trypanosoma brucei.

Similarity of drug targets to human microbiome metaproteome promotes pharmacological promiscuity

The paper assesses similarity between drug targets and human microbiome metaproteomes to identify potential off-target effects and pharmacological promiscuity.

Decoding Surface Fingerprints for Protein-Ligand Interactions

The paper introduces a computational framework for fragment-based screening and binding affinity prediction using protein surface descriptors to identify ligands for challenging protein targets.

Unheeded SARS-CoV-2 proteins? A deep look into negative-sense RNA

This study identifies potential protein-coding regions in negative-sense RNA intermediates of SARS-CoV-2 using bioinformatics and structural analysis.

Predicted structural mimicry of spike receptor-binding motifs from highly pathogenic human coronaviruses

The paper identifies potential structural mimicry of coronavirus spike receptor-binding motifs by human and non-human proteins using structural bioinformatics and docking simulations.

Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Protein Structures and Interaction Networks

Graphein transforms bioinformatics data into machine learning-ready graph representations for geometric deep learning and network analysis.

Computational Saturation Mutagenesis to predict structural consequences of systematic mutations on protein stability and rifampin interactions in the β subunit of RNA polymerase in Mycobacterium leprae

Comparative analyses of metabolic pathways in mycobacteria: Insights into the identification and characterisation of new drug targets in M. tuberculosis, M. leprae and M. abscessus

The paper compares metabolic pathways in three mycobacteria to identify common drug targets and assess their druggability.