Zoe Cournia

5.1k total citations · 2 hit papers
65 papers, 3.2k citations indexed

About

Zoe Cournia is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Zoe Cournia has authored 65 papers receiving a total of 3.2k indexed citations (citations by other indexed papers that have themselves been cited), including 48 papers in Molecular Biology, 17 papers in Computational Theory and Mathematics and 11 papers in Materials Chemistry. Recurrent topics in Zoe Cournia's work include Protein Structure and Dynamics (19 papers), Computational Drug Discovery Methods (17 papers) and Lipid Membrane Structure and Behavior (14 papers). Zoe Cournia is often cited by papers focused on Protein Structure and Dynamics (19 papers), Computational Drug Discovery Methods (17 papers) and Lipid Membrane Structure and Behavior (14 papers). Zoe Cournia collaborates with scholars based in Greece, United States and Germany. Zoe Cournia's co-authors include Woody Sherman, Bryce K. Allen, George M. Spyrou, Demetrios K. Vassilatis, Paraskevi Gkeka, Jeremy C. Smith, G. Matthias Ullmann, Lev Sarkisov, Panagiotis Angelikopoulos and Ioannis Galdadas and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Bioinformatics and The Journal of Physical Chemistry B.

In The Last Decade

Zoe Cournia

64 papers receiving 3.1k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

2014 676 citations George M. Spyrou, Zoe Cournia et al. profile →
Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

2017 545 citations Zoe Cournia, Bryce K. Allen et al. Journal of Chemical Information and Modeling profile →

Peers

Zoe Cournia

CTM

AMPO

David S. Cerutti United States

Duncan Poole United States

Jennifer L. Knight United States

Wenbo Yu United States

Markus A. Lill United States

Thomas E. Exner Germany

Dmitry Lupyan United States

E. Prabhu Raman United States

Paul Labute Canada

Goran Krilov United States

David S. Cerutti United States

Zoe Cournia

2.3k ×1.1

820 ×0.8

CTM

681 ×1.3

656 ×1.4

393 ×1.5

AMPO

Citations per year, relative to Zoe Cournia Zoe Cournia (= 1×) peers David S. Cerutti

Countries citing papers authored by Zoe Cournia

Since Specialization

Citations

This map shows the geographic impact of Zoe Cournia's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Zoe Cournia with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Zoe Cournia more than expected).

Fields of papers citing papers by Zoe Cournia

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Zoe Cournia. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Zoe Cournia. The network helps show where Zoe Cournia may publish in the future.

Co-authorship network of co-authors of Zoe Cournia

This figure shows the co-authorship network connecting the top 25 collaborators of Zoe Cournia. A scholar is included among the top collaborators of Zoe Cournia based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Zoe Cournia. Zoe Cournia is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Cournia, Zoe, et al.. (2025). Structural and allosteric effects of the membrane-bound PI3Kα H1047R mutation and opportunities for drug discovery. Communications Chemistry. 8(1). 338–338.

Cournia, Zoe, et al.. (2024). Comparison of Methodologies for Absolute Binding Free Energy Calculations of Ligands to Intrinsically Disordered Proteins. Journal of Chemical Theory and Computation. 20(21). 9699–9707. 2 indexed citations

Cournia, Zoe, et al.. (2024). Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. Journal of Chemical Information and Modeling. 64(13). 5140–5150. 1 indexed citations

Cournia, Zoe, et al.. (2024). Machine learning approaches in predicting allosteric sites. Current Opinion in Structural Biology. 85. 102774–102774. 28 indexed citations

Koukos, Panagiotis I., Sepehr Dehghani‐Ghahnaviyeh, Camilo Velez‐Vega, et al.. (2023). Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications. Journal of Chemical Theory and Computation. 19(23). 8901–8918. 9 indexed citations

Theodoropoulou, Anastasia, Stefan Doerr, John I. Manchester, et al.. (2022). Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability. The Journal of Physical Chemistry B. 126(7). 1504–1519. 6 indexed citations

Leontiadou, Hari, et al.. (2022). Investigating the Bioactive Conformation of Angiotensin II Using Markov State Modeling Revisited with Web-Scale Clustering. Journal of Chemical Theory and Computation. 18(9). 5636–5648. 5 indexed citations

Cournia, Zoe, et al.. (2021). Predicting protein–membrane interfaces of peripheral membrane proteins using ensemble machine learning. Briefings in Bioinformatics. 23(2). 26 indexed citations

Cournia, Zoe, et al.. (2021). Rational design of allosteric modulators: Challenges and successes. Wiley Interdisciplinary Reviews Computational Molecular Science. 11(6). 58 indexed citations

10.

Cournia, Zoe, et al.. (2021). Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations. Journal of Chemical Information and Modeling. 62(1). 142–149. 5 indexed citations

11.

Karatzas, Evangelos, et al.. (2020). ChemBioServer 2.0: an advanced web server for filtering, clustering and networking of chemical compounds facilitating both drug discovery and repurposing. Bioinformatics. 36(8). 2602–2604. 24 indexed citations

12.

Tzakos, Andreas G., et al.. (2020). Interplay of cholesterol, membrane bilayers and the AT1R: A cholesterol consensus motif on AT1R is revealed. Computational and Structural Biotechnology Journal. 19. 110–120. 9 indexed citations

13.

Cournia, Zoe, Bryce K. Allen, Thijs Beuming, et al.. (2020). Rigorous Free Energy Simulations in Virtual Screening. Journal of Chemical Information and Modeling. 60(9). 4153–4169. 125 indexed citations

14.

Mazzolari, Angelica, Ariane Nunes‐Alves, Habibah A. Wahab, et al.. (2020). Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. Journal of Chemical Information and Modeling. 60(7). 3328–3330. 2 indexed citations

15.

Armacost, Kira A., Sereina Riniker, & Zoe Cournia. (2020). Novel Directions in Free Energy Methods and Applications. Journal of Chemical Information and Modeling. 60(1). 1–5. 36 indexed citations

16.

Rizzi, Andrea, David R. Slochower, Matteo Aldeghi, et al.. (2020). The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of Computer-Aided Molecular Design. 34(5). 601–633. 82 indexed citations

17.

Podewitz, Maren, Yin Wang, Paraskevi Gkeka, et al.. (2018). Phase Diagram of a Stratum Corneum Lipid Mixture. The Journal of Physical Chemistry B. 122(46). 10505–10521. 17 indexed citations

18.

Leontiadou, Hari, et al.. (2018). Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations. Scientific Reports. 8(1). 15544–15544. 54 indexed citations

19.

Cournia, Zoe, Bryce K. Allen, & Woody Sherman. (2017). Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations. Journal of Chemical Information and Modeling. 57(12). 2911–2937. 545 indexed citations breakdown →

20.

Vasilakaki, Sofia, et al.. (2017). Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2. Journal of Computer-Aided Molecular Design. 32(1). 21–44. 17 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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