Zoe Cournia

40PUBLICATIONS
129CO-AUTHORS
Computational chemistryAtomic and molecular physicsBioinformatic methods developmentProteins and peptidesBiomolecular modelling and design
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Publications (40)

|Apr 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry.

|Mar 19, 2026
Free-Energy Calculations of Biomolecular Processes: Methods Development, Benchmarking, and Applications.

Zoe Cournia, Christophe Chipot

|Nov 07, 2025
Structural and allosteric effects of the membrane-bound PI3Kα H1047R mutation and opportunities for drug discovery.

Danai Maria Kotzampasi, Zoe Cournia

|Jul 02, 2025
Predicting RNA Structure Utilizing Attention from Pretrained Language Models.

Ioannis Papazoglou, Alexios Chatzigoulas, George Tsekenis

|Nov 19, 2024
Using deep learning and large protein language models to predict protein-membrane interfaces of peripheral membrane proteins.

Dimitra Paranou, Alexios Chatzigoulas, Zoe Cournia

|Oct 28, 2024
Comparison of Methodologies for Absolute Binding Free Energy Calculations of Ligands to Intrinsically Disordered Proteins.

Michail Papadourakis, Zoe Cournia, Antonia S J S Mey

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Frequent Collaborators

8 joint publications

Rommie E Amaro

7 joint publications

Habibah Wahab

6 joint publications

Thereza Soares

4 joint publications

Kenneth M Merz