Antonia Mey

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Dive into the research topics where Antonia Mey is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

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33 Article
1 Chapter
1 Conference contribution
1 Comment/debate
More
- 1 Review article
- 1 Preprint

Protocols for Metallo- and Serine-β-Lactamase Free Energy Predictions: Insights from Cross-Class Inhibitors
Güven, J. J., Hanževački, M., Kalita, P., Mulholland, A. J. & Mey, A. S. J. S., 5 Dec 2024, (E-pub ahead of print) In: Journal of Physical Chemistry B. 128, 50, p. 12416-12424 9 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Learning binding affinities via fine-tuning of protein and ligand language models
Gorantla, R., Gema, A. P., Yang, I. X., Serrano-Morrás, Á., Suutari, B., Jiménez, J. J. & Mey, A. S. J. S., 1 Nov 2024, bioRxiv.
Research output: Working paper › Preprint

File
Comparison of Methodologies for Absolute Binding Free Energy Calculations of Ligands to Intrinsically Disordered Proteins
Papadourakis, M., Cournia, Z., Mey, A. S. J. S. & Michel, J., 28 Oct 2024, (E-pub ahead of print) In: Journal of Chemical Theory and Computation.
Research output: Contribution to journal › Article › peer-review

Open Access
File
Digital skills in chemical education
McCluskey, A. R., Rivera, M. & Mey, A. S. J. S., 23 Aug 2024, (E-pub ahead of print) In: Nature Chemistry . 16, 9, p. 1383-1384 2 p.
Research output: Contribution to journal › Comment/debate › peer-review

Open Access
File
Dirac--Bianconi Graph Neural Networks - Enabling long-range graph predictions
Mey, A. S. J. S., 17 Jun 2024, ICML 2024 Workshop on Geometry-grounded Representation Learning and Generative Modeling.
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Open Access
File

1 Active
7 Finished

Learning cryptic binding sites
Mey, A.
Redesign Science Inc.
1/10/22 → 31/03/26
Project: Research
EPSRC IAA PV085 Testing quantum machine learning approaches for genomic assembly of coronaviruses
Brown, O., Mey, A. & Sindt, J.
Engineering and Physical Sciences Research Council
1/09/23 → 31/03/24
Project: Research
Establishing the Accessible Computational Regimes for Biomolecular Simulations at Exascale
Michel, J., Marenduzzo, D. & Mey, A.
University of Leeds
1/06/23 → 30/11/24
Project: Research
Computing at the exascale: Drawing a computational map of metallo β-lactamases
Mey, A.
Royal Society of Chemistry
1/02/22 → 31/01/23
Project: Research
Exploiting machine-learnt potential functions in Docking
Mey, A.
UK industry, commerce and public corporations
1/09/21 → 31/08/24
Project: Research

Antonia Mey

Fingerprint

Collaborations and top research areas from the last five years

Dive into details

Protocols for Metallo- and Serine-β-Lactamase Free Energy Predictions: Insights from Cross-Class Inhibitors

Learning binding affinities via fine-tuning of protein and ligand language models

Comparison of Methodologies for Absolute Binding Free Energy Calculations of Ligands to Intrinsically Disordered Proteins

Digital skills in chemical education

Dirac--Bianconi Graph Neural Networks - Enabling long-range graph predictions

Learning cryptic binding sites

EPSRC IAA PV085 Testing quantum machine learning approaches for genomic assembly of coronaviruses

Establishing the Accessible Computational Regimes for Biomolecular Simulations at Exascale

Computing at the exascale: Drawing a computational map of metallo β-lactamases

Exploiting machine-learnt potential functions in Docking

Antonia Mey

Fingerprint

Collaborations and top research areas from the last five years

Research output

Projects