Zoe Cournia

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 42

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry. B

Journal of chemical theory and computation

Wellcome open research

Biomedical Research Foundation, Academy of Athens

University of Heidelberg (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Biomedical Research Foundation, Academy of Athens Oct 21 2009

Greece

Senior Researcher (Associate Professor rank) :: Translational Research

Education History

University of Heidelberg Oct 01 2001 - Dec 20 2006

Germany

PHD

Publications

Isidora Diakogiannaki, Michail Papadourakis, Vasileia Spyridaki, Zoe Cournia, Andreas D Koutselos
Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. Journal of chemical information and modeling 64 (13) (2024)
Zoe Cournia, Christophe J Chipot
Applications of Free-Energy Calculations to Biomolecular Processes. A Collection. The journal of physical chemistry. B 128 (14) (2024)
Isidora Diakogiannaki, Michail Papadourakis, Vasileia Spyridaki, Zoe Cournia, Andreas D Koutselos
Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. Journal of chemical information and modeling 64 (13) (2024)
Zoe Cournia, Christophe J Chipot
Applications of Free-Energy Calculations to Biomolecular Processes. A Collection. Journal of chemical information and modeling 64 (7) (2024)
Zoe Cournia, Christophe J Chipot
Applications of Free-Energy Calculations to Biomolecular Processes. A Collection. Journal of chemical information and modeling 64 (7) (2024)
Isidora Diakogiannaki, Michail Papadourakis, Vasileia Spyridaki, Zoe Cournia, Andreas D Koutselos
Computational Investigation of BMAA and Its Carbamate Adducts as Potential GluR2 Modulators. Journal of chemical information and modeling 64 (13) (2024)
Kenneth M Merz, Yee Siew Choong, Zoe Cournia, Olexandr Isayev, Thereza A Soares, Guo-Wei Wei, Jian Zhang
Editorial: Machine Learning in Materials Science. Journal of chemical information and modeling 64 (10) (2024)
Raphaelle Versini, Sujith Sritharan, Burcu Aykac Fas, Thibault Tubiana, Sana Zineb Aimeur, Julien Henri, Marie Erard, Oliver Nüße, Jessica Andreani, Marc Baaden, Patrick Fuchs, Tatiana Galochkina, Alexios Chatzigoulas, Zoe Cournia, Hubert Santuz, Sophie Sacquin-Mora, Antoine Taly
A Perspective on the Prospective Use of AI in Protein Structure Prediction. Journal of chemical information and modeling 64 (1) (2023)
Michail Papadourakis, Gregory D Sinenko, Pierre Matricon, Jérôme Hénin, Grace Brannigan, Laura Pérez-Benito, Vineet Pande, Herman W T van Vlijmen, Chris de Graaf, Francesca Deflorian, Gary John Tresadern, Marco Cecchini, Zoe Cournia
Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of chemical theory and computation (2023)
Raphaelle Versini, Sujith Sritharan, Burcu Aykac Fas, Thibault Tubiana, Sana Zineb Aimeur, Julien Henri, Marie Erard, Oliver Nüße, Jessica Andreani, Marc Baaden, Patrick Fuchs, Tatiana Galochkina, Alexios Chatzigoulas, Zoe Cournia, Hubert Santuz, Sophie Sacquin-Mora, Antoine Taly
A Perspective on the Prospective Use of AI in Protein Structure Prediction. Journal of chemical information and modeling (2023)
Panagiotis I Koukos, Sepehr Dehghani-Ghahnaviyeh, Camilo Velez-Vega, John Manchester, D Peter Tieleman, José S Duca, Paulo Cesar Telles de Souza, Zoe Cournia
Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications. Journal of chemical theory and computation (2023)
Thereza A Soares, Zoe Cournia, Kevin J Naidoo, Rommie Elizabeth Amaro, Habibah Abdul Wahab, Kenneth M Merz
Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications. Journal of chemical information and modeling (2023)
Raphaelle Versini, Sujith Sritharan, Burcu Aykac Fas, Thibault Tubiana, Sana Zineb Aimeur, Julien Henri, Marie Erard, Oliver Nüße, Jessica Andreani, Marc Baaden, Patrick Fuchs, Tatiana Galochkina, Alexios Chatzigoulas, Zoe Cournia, Hubert Santuz, Sophie Sacquin-Mora, Antoine Taly
A Perspective on the Prospective Use of AI in Protein Structure Prediction. Journal of chemical information and modeling 64 (1) (2023)
Raphaelle Versini, Sujith Sritharan, Burcu Aykac Fas, Thibault Tubiana, Sana Zineb Aimeur, Julien Henri, Marie Erard, Oliver Nüße, Jessica Andreani, Marc Baaden, Patrick Fuchs, Tatiana Galochkina, Alexios Chatzigoulas, Zoe Cournia, Hubert Santuz, Sophie Sacquin-Mora, Antoine Taly
A Perspective on the Prospective Use of AI in Protein Structure Prediction. Journal of chemical information and modeling 64 (1) (2023)
Emmanouil Christoforou, Hari Leontiadou, Frank Noé, Jannis Samios, Ioannis Z Emiris, Zoe Cournia
Investigating the Bioactive Conformation of Angiotensin II Using Markov State Modeling Revisited with Web-Scale Clustering. Journal of chemical theory and computation 18 (9) (2022)
Maren Podewitz, Yin Wang, Paraskevi Gkeka, Susanne von Grafenstein, Klaus Roman Liedl, Zoe Cournia
Correction to "Phase Diagram of a Stratum Corneum Lipid Mixture". The journal of physical chemistry. B 126 (16) (2022)
Ioannis Andreadelis, Sofia Kiriakidi, Christos Lamprakis, Anastasia Theodoropoulou, Stefan Doerr, Alexios Chatzigoulas, John Manchester, Camilo Velez-Vega, José S Duca, Zoe Cournia
Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K-Ras4B Dimer Stability. The journal of physical chemistry. B 126 (7) (2022)
Zoe Cournia, Thereza A Soares, Habibah Abdul Wahab, Rommie Elizabeth Amaro
Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry. Journal of chemical information and modeling 62 (24) (2022)
Zoe Cournia, Thereza A Soares, Habibah Abdul Wahab, Rommie Elizabeth Amaro
Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry. Journal of chemical information and modeling 62 (24) (2022)
Vasiliki Vakali, Michail Papadourakis, Nikitas Georgiou, Nikoletta Zoupanou, Dimitrios A Diamantis, Uroš Javornik, Paraskevi Papakyriakopoulou, Janez Plavec, Georgia Valsami, Andreas G Tzakos, Demeter Tzeli, Zoe Cournia, Thomas Mauromoustakos
Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin. Molecules (Basel, Switzerland) 27 (17) (2022)
Christos Lamprakis, Ioannis Andreadelis, John Manchester, Camilo Velez-Vega, José S Duca, Zoe Cournia
Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments. Journal of chemical theory and computation 17 (5) (2021)
Ioannis Galdadas, Vangelis Bonis, Paraskevi Vgenopoulou, Michail Papadourakis, Panos Kakoulidis, Georgia Stergiou, Zoe Cournia, Apostolos Klinakis
The effect of S427F mutation on RXRα activity depends on its dimeric partner. Chemical science 12 (44) (2021)
Kenneth M Merz, Rommie Elizabeth Amaro, Zoe Cournia, Matthias Rarey, Thereza A Soares, Alexander Trospsha, Habibah Abdul Wahab, Ren-Xiao Wang
Editorial: Method and Data Sharing and Reproducibility of Scientific Results. Journal of chemical information and modeling 60 (12) (2021)
Samanta Makurat, Zoe Cournia, Janusz Rak
Inactive-to-Active Transition of Human Thymidine Kinase 1 Revealed by Molecular Dynamics Simulations. Journal of chemical information and modeling 62 (1) (2021)
Kira A Armacost, Sereina Riniker, Zoe Cournia
Novel Directions in Free Energy Methods and Applications. Journal of chemical information and modeling 60 (1) (2021)
Kira A Armacost, Sereina Riniker, Zoe Cournia
Exploring Novel Directions in Free Energy Calculations. Journal of chemical information and modeling 60 (11) (2021)
Claire C Austin, Alexander Bernier, Louise Bezuidenhout, Juan Bicarregui, Timea Biro, Anne Cambon-Thomsen, Stephanie Russo Carroll, Zoe Cournia, Piotr Wojciech Dabrowski, Gayo Diallo, Thomas Duflot, Leyla Jael Castro, Sandra Gesing, Alejandra N Gonzalez-Beltran, Anupama Gururaj, Natalie Harrower, Dawei Lin, Claudia Bauzer Medeiros, Eva Méndez, Natalie Meyers, Daniel Mietchen, Rajini Nagrani, Gustav Nilsonne, Simon Parker, John Brian Pickering, Amy Pienta, Panayiota Polydoratou, Fotis E Psomopoulos, Stéphanie Rennes, Robyn Rowe, Susanna-Assunta Sansone, Hugh Shanahan, Lina Sitz, Joanne Stocks, Marcos Roberto Tovani-Palone, Mary O'Brien-Uhlmansiek, null null
Fostering global data sharing: highlighting the recommendations of the Research Data Alliance COVID-19 working group. Wellcome open research 5 (2021)
Stamatia Zavitsanou, Alexandros Tsengenes, Michail Papadourakis, Giorgio Amendola, Alexios Chatzigoulas, Dimitris Dellis, Sandro Cosconati, Zoe Cournia
FEPrepare: A Web-Based Tool for Automating the Setup of Relative Binding Free Energy Calculations. Journal of chemical information and modeling 61 (9) (2021)
Zoe Cournia, Thereza A Soares, Habibah Abdul Wahab, Rommie Elizabeth Amaro
Advancing Women in Chemistry. Journal of chemical information and modeling 61 (11) (2021)
Andrea Rizzi, Travis Jensen, David R Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M Henriksen, Bert L de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K Gilson, Michael R Shirts, David L Mobley, John D Chodera
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of computer-aided molecular design 34 (5) (2020)
Angelica Mazzolari, Ariane Nunes Alves, Habibah Abdul Wahab, Rommie Elizabeth Amaro, Zoe Cournia, Kenneth M Merz
Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. Journal of chemical information and modeling 60 (7) (2020)
Zoe Cournia, Bryce K Allen, Thijs Beuming, David A Pearlman, Brian K Radak, Woody Sherman
Rigorous Free Energy Simulations in Virtual Screening. Journal of chemical information and modeling 60 (9) (2020)
Claire C Austin, Alexander Bernier, Louise Bezuidenhout, Juan Bicarregui, Timea Biro, Anne Cambon-Thomsen, Stephanie Russo Carroll, Zoe Cournia, Piotr Wojciech Dabrowski, Gayo Diallo, Thomas Duflot, Leyla Jael Castro, Sandra Gesing, Alejandra N Gonzalez-Beltran, Anupama Gururaj, Natalie Harrower, Dawei Lin, Claudia Bauzer Medeiros, Eva Méndez, Natalie Meyers, Daniel Mietchen, Rajini Nagrani, Gustav Nilsonne, Simon Parker, John Brian Pickering, Amy Pienta, Panayiota Polydoratou, Fotis E Psomopoulos, Stephanie Rennes, Robyn Rowe, Susanna-Assunta Sansone, Hugh Shanahan, Lina Sitz, Joanne Stocks, Marcos Roberto Tovani-Palone, Mary O'Brien-Uhlmansiek, null null
Fostering global data sharing: highlighting the recommendations of the Research Data Alliance COVID-19 working group. Wellcome open research 5 (2020)
Ioannis Galdadas, Francesco Luigi Gervasio, Zoe Cournia
Unravelling the effect of the E545K mutation on PI3Kα kinase. Chemical science 11 (13) (2020)
Habibah Abdul Wahab, Rommie Elizabeth Amaro, Zoe Cournia
A Celebration of Women in Computational Chemistry. Journal of chemical information and modeling 59 (5) (2020)
Hari Leontiadou, Ioannis Galdadas, Christina Athanasiou, Zoe Cournia
Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations. Scientific reports 8 (1) (2018)
Ioanna Tremi, Dimitrios Anagnostopoulos, Ellas Spyratou, Paraskevi Gkeka, Alexandros G Georgakilas, Chryssostomos Chatgilialoglu, Zoe Cournia
Effect of 5-trans Isomer of Arachidonic Acid on Model Liposomal Membranes Studied by a Combined Simulation and Experimental Approach. The Journal of membrane biology 251 (3) (2018)
Maren Podewitz, Yin Wang, Paraskevi Gkeka, Susanne von Grafenstein, Klaus Roman Liedl, Zoe Cournia
Phase Diagram of a Stratum Corneum Lipid Mixture. The journal of physical chemistry. B 122 (46) (2018)
Alexios Chatzigoulas, Konstantina Karathanou, Dimitris Dellis, Zoe Cournia
NanoCrystal: A Web-Based Crystallographic Tool for the Construction of Nanoparticles Based on Their Crystal Habit. Journal of chemical information and modeling 58 (12) (2018)
Habibah Abdul Wahab, Rommie Elizabeth Amaro, Zoe Cournia
Women in Computational Chemistry. Journal of chemical information and modeling 58 (11) (2018)
Christina Athanasiou, Sofia Vasilakaki, Dimitris Dellis, Zoe Cournia
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) (2017)
Zoe Cournia, Bryce K Allen, Woody Sherman
Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations. Journal of chemical information and modeling 57 (12) (2017)

Zoe Cournia.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Zoe Cournia