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Thomas G. Davies

dblp:425/9382 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · unresolved

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › protein structure analysis
protein binding site analysis
0.912025
Mapping the space of protein binding sites with sequence-based protein language models · Bioinform. 2025
Bioinformatics and computational biology
drug discovery
0.312025
Mapping the space of protein binding sites with sequence-based protein language models · Bioinform. 2025
Bioinformatics and computational biology › drug discovery
druggability prediction
0.312025
Mapping the space of protein binding sites with sequence-based protein language models · Bioinform. 2025

Methods — techniques the papers use, named apart from their topics

protein language model · 0.93d tessellation · 0.9
YearPublicationVenuePosition
2025 Mapping the space of protein binding sites with sequence-based protein language models
abstract
MOTIVATION: Binding sites are the key interfaces that determine a protein's biological activity, and therefore common targets for therapeutic intervention. Techniques that help us detect, compare, and contextualize binding sites are hence of immense interest to drug discovery. RESULTS: Here, we present an approach that integrates protein language models with a 3D tessellation technique to derive rich and versatile representations of binding sites that combine functional, structural, and evolutionary information with unprecedented detail. We demonstrate that the associated similarity metrics induce meaningful pocket clusterings by balancing local structure against global sequence effects. The resulting embeddings are shown to simplify a variety of downstream tasks: they help organize the 'pocketome' in a way that efficiently contextualizes new binding sites, construct performant druggability models, and define challenging train-test splits for believable benchmarking of pocket-centric machine-learning models. AVAILABILITY AND IMPLEMENTATION: A Python package that implements the EPoCS method is freely available at https://github.com/tugceoruc/epocs.
Tugçe Oruç, Maria Kadukova, Thomas G. Davies, Marcel L. Verdonk, Carl Poelking
Bioinform.3