Zoe Cournia

Senior Researcher (Associate Professor rank)

Biomedical Research Foundation of the Academy of Athens

Greece

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About

Dr. Zoe Cournia is a Senior Researcher at the Biomedical Research Foundation of the Academy of Athens, Greece. Her research interests encompass computational methodologies for understanding biomolecular processes, particularly in the areas of RNA structure prediction, drug discovery, and free-energy calculations. Recent publications highlight her contributions to machine learning applications in materials science and protein interactions.

Articles (20)

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2025

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2021

Collaborators (8)

Francesco Luigi Gervasio

Full Professor

University of Geneva

SWITZERLAND

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Sepehr Dehghani Ghahnaviyeh

Beckman Institute for Advanced Science and Technology

UNITED STATES

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Ioannis Emiris

Professor

National and Kapodistrian University of Athens

GREECE

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Thereza A. Soares

University of Oslo

NORWAY

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Maren Podewitz

TU Wien

AUSTRIA

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Julien Michel

University of Edinburgh

UNITED KINGDOM

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Andreas Tzakos

Associate Professor

University of Ioannina

GREECE

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Kenneth Merz

Michigan State University

UNITED STATES

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Zoe Cournia

Research Interests

Contact this professor

About

Articles (20)

Predicting RNA Structure Utilizing Attention from Pretrained Language Models

Computational advances in discovering cryptic pockets for drug discovery

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

Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators

Editorial: Machine Learning in Materials Science

Applications of Free-Energy Calculations to Biomolecular Processes. A Collection

Applications of Free-Energy Calculations to Biomolecular Processes. A Collection

Machine learning approaches in predicting allosteric sites

Using deep learning and large protein language models to predict protein–membrane interfaces of peripheral membrane proteins

Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications

Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications

Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin

Correction to “Phase Diagram of a Stratum Corneum Lipid Mixture”

Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry

Investigating the Bioactive Conformation of Angiotensin II Using Markov State Modeling Revisited with Web-Scale Clustering

Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability

Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations

The orchestrated signaling by PI3Kα and PTEN at the membrane interface

Advancing Women in Chemistry

Rational design of allosteric modulators: Challenges and successes

Collaborators (8)

Francesco Luigi Gervasio

Sepehr Dehghani Ghahnaviyeh

Ioannis Emiris

Thereza A. Soares

Maren Podewitz

Julien Michel

Andreas Tzakos

Kenneth Merz

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