Oriol Gracia Carmona

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Gracia Carmona Oriol, Post-doc

Email: o [dot] carmona@ucl.ac.uk

Biography

Oriol is a passionate and driven researcher with a strong academic foundation and a deep curiosity for the intersection of biology, computation, and health sciences. Graduating with First Class Honours in Biochemistry at the University of Barcelona, he went on to complete an MSc in Bioinformatics Applied to Health Sciences at University Pompeu Fabra, where he explored the integration of multi-omics and molecular simulation data to understand disease mechanisms. He later earned his PhD with Distinction at the University of Boku (Vienna), focusing on algorithmic approaches to study drug binding interactions, enhanced sampling and allostery.

Papers:

TITINdb2—expanding annotation and structural information for protein variants in the giant sarcomeric protein titin

Weston T, Ng J, Gracia Carmona O, Gautel M, Fraternali F. TITINdb2—expanding annotation and structural information for protein variants in the giant sarcomeric protein titin. Bioinformatics Advances. 2025;5(1):vbaf062. https://doi.org/10.1093/bioadv/vbaf062

AllohubPy: Detecting Allosteric Signals Through An Information-theoretic Approach

Carmona OG, Kleinjung J, Anastasiou D, Oostenbrink C, Fraternali F. AllohubPy: Detecting Allosteric Signals Through An Information-theoretic Approach. Journal of Molecular Biology. 2025 Feb 1:168969. https://doi.org/10.1016/j.jmb.2025.168969

To be published:

Assessing structure-function impacts on Vitellogenin by leveraging allelic variant occurring in honey bee subspecies Apis mellifera meliffera

Leipart V, Carmona OG, Orengo C, Fraternali F, Amdam GV. Assessing structure-function impacts on Vitellogenin by leveraging allelic variant occurring in honey bee subspecies Apis mellifera meliffera. bioRxiv. 2025 Mar 18:2025-03. https://doi.org/10.1101/2025.03.17.643649

Single distal mutation enhances activity of known PETases via stabilisation of PET-binding

Fu X, Gracia I. Carmona O, Abrusan G, Jiao X, Diaciuc A, Gautel M, Fraternali F, Zelezniak A. Single distal mutation enhances activity of known PETases via stabilisation of PET-binding. bioRxiv. 2024 Sep 11:2024-09. https://doi.org/10.1101/2024.09.11.612432

Leveraging protein language models and scoring function for Indel characterisation and transfer learning

Carmona OG, Leipart V, Amdam GV, Orengo C, Fraternali F. Leveraging protein language models and scoring function for Indel characterisation and transfer learning. bioRxiv. 2025 Mar 14:2025-03. https://doi.org/10.1101/2025.03.17.643649

Research Interests : His research interests lie at the interface of computational biology, computational chemistry, and artificial intelligence with a big emphasis on developing tools to tackle complex biological questions. Oriol is particularly interested in:

  • Molecular Dynamics
  • Interpretable AI
  • Enhanced sampling

In both academic and collaborative projects, Oriol brings a rigorous analytical mindset, a commitment to open science, and a drive to turn data into actionable health insights. He is currently exploring how data biases affect the new state of the art models and how these tools can be combined to help diagnose dilated cardiomyopathy.