Tom L Blundell
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Explore the profile of Tom L Blundell including associated specialties, affiliations and a list of published articles.
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317
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9827
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Recent Articles
1.
Lian E, Belardinelli J, De K, Pandurangan A, Angala S, Palcekova Z, et al.
mBio
. 2025 Mar;
:e0032225.
PMID: 40084888
is one of the leading causes of pulmonary infections caused by non-tuberculous mycobacteria. The ability of to establish a chronic infection in the lung relies on a series of adaptive...
2.
Schneuing A, Harris C, Du Y, Didi K, Jamasb A, Igashov I, et al.
Nat Comput Sci
. 2024 Dec;
4(12):899-909.
PMID: 39653846
Structure-based drug design (SBDD) aims to design small-molecule ligands that bind with high affinity and specificity to pre-determined protein targets. Generative SBDD methods leverage structural data of drugs with their...
3.
Stockwell S, Scott D, Fischer G, Guarino E, Rooney T, Feng T, et al.
J Med Chem
. 2024 Aug;
67(17):15521-15536.
PMID: 39190548
Aurora A kinase, a cell division regulator, is frequently overexpressed in various cancers, provoking genome instability and resistance to antimitotic chemotherapy. Localization and enzymatic activity of Aurora A are regulated...
4.
Montalvao R, Pitt W, Pinheiro V, Blundell T
Bioinformatics
. 2024 Jul;
PMID: 39037932
Summary: Analysing protein structure similarities is an important step in protein engineering and drug discovery. Methodologies that are more advanced than simple RMSD are available but often require extensive mathematical...
5.
Weimann A, Dinan A, Ruis C, Bernut A, Pont S, Brown K, et al.
Science
. 2024 Jul;
385(6704):eadi0908.
PMID: 38963857
The major human bacterial pathogen causes multidrug-resistant infections in people with underlying immunodeficiencies or structural lung diseases such as cystic fibrosis (CF). We show that a few environmental isolates, driven...
6.
Jamasb A, Morehead A, Joshi C, Zhang Z, Didi K, Mathis S, et al.
ArXiv
. 2024 Jul;
PMID: 38947934
We introduce , a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and predicted...
7.
Lawson C, Kryshtafovych A, Pintilie G, Burley S, cerny J, Chen V, et al.
Nat Methods
. 2024 Jun;
21(7):1340-1348.
PMID: 38918604
The EMDataResource Ligand Model Challenge aimed to assess the reliability and reproducibility of modeling ligands bound to protein and protein-nucleic acid complexes in cryogenic electron microscopy (cryo-EM) maps determined at...
8.
McCarthy W, Thomas S, Olaleye T, Boland J, Floto R, Williams G, et al.
Angew Chem Int Ed Engl
. 2024 Jun;
63(37):e202406846.
PMID: 38896426
Ligand binding hotspots are regions of protein surfaces that form particularly favourable interactions with small molecule pharmacophores. Targeting interactions with these hotspots maximises the efficiency of ligand binding. Existing methods...
9.
De K, Belardinelli J, Pandurangan A, Ehianeta T, Lian E, Palcekova Z, et al.
Proc Natl Acad Sci U S A
. 2024 Apr;
121(17):e2403206121.
PMID: 38630725
is increasingly recognized as the causative agent of chronic pulmonary infections in humans. One of the genes found to be under strong evolutionary pressure during adaptation of to the human...
10.
El Bakali J, Blaszczyk M, Evans J, Boland J, McCarthy W, Fathoni I, et al.
Angew Chem Weinheim Bergstr Ger
. 2024 Mar;
135(17):e202300221.
PMID: 38515507
The coenzyme A (CoA) biosynthesis pathway has attracted attention as a potential target for much-needed novel antimicrobial drugs, including for the treatment of tuberculosis (TB), the lethal disease caused by...