Dr. Zoe Cournia
Host Organization Biomedical Research Foundation, Academy of Athens, Greece
Center for Clinical, Research, Experimental Surgery and Translational Research
Main Supervisor for ESR1
Zoe Cournia graduated from the Chemistry Department of the University of Athens and subsequently pursued doctoral studies in the University of Heidelberg, Germany, with Dr. Jeremy Smith. She obtained her Ph.D. degree in computational biophysical chemistry in 2006. Cournia then joined Dr. Bill Jorgensen's lab in the Department of Chemistry, Yale University, to perform post-doctoral studies in computer-aided drug design. At Yale, she focused on the design and discovery of novel anti-cancer agents and prediction of pharmacological properties using computational techniques. During 2007-2008 she served as a co-President of the Yale Pharmaceutical and Biotechnology Society and in 2009 she became a Lecturer in Yale College in 2009.
For her research achievements, she has earned the AACR Fellowship for Cancer Research in Angiogenesis, the "Woman of Innovation 2009" Award from the Connecticut Technology Council USA, the Marie Curie Fellowship from the European Union (2010), the "Outstanding Junior Faculty Award" from the American Chemical Society (2014) and the first "Ada Lovelace Award" from the "Partnership for Advanced Computing in Europe" (2016). She is the Associate Editor of the Journal of Chemical information and Modeling, American Chemical Society, and a member of the Infrastructure Advisory Group (INFRAG) of the European High Performance Computing Joint Undertaking, European Commission. She is currently teaching at the Master’s program “Information Technologies in Technology and Medicine” at the Department of Informatics and Telecommunications, National and Kapodistrian University of Athens. She is the Founder of Ingredio, a mobile phone app that informs consumers on the potential hazards of chemical ingredients in food and cosmetics products using open, peer-reviewed data (http://www.ingred.io/android).
Unravelling the effect of the E545K mutation on PI3Kα kinase
Galdadas I, Gervasio, FL, Cournia Z
Chem Sci, 2020, 11, 3511-3515
Compounds for use in treating or preventing cancerous diseases
Stellas D, Tamvakopoulos C, Klinakis A, Efstratiadis A, Cournia Z
US Patent 2019 10,287,294B2
Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations.
Leontiadou H, Galdadas I, Athanasiou C, Cournia Z*
Sci Rep, 2018, 8(1):15544.
Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion
Gkeka, P, Angelikopoulos P, Sarkisov L, Cournia Z.
PLoS Comput Biol. 2014, 10 (10):e1003917
Investigating the Structure and Dynamics of the PIK3CA Wild-Type and H1047R Oncogenic Mutant.
Gkeka P, Evangelidis T, Pavlaki M, Lazani V, Christoforidis S, Agianian B, Cournia Z.
PLoS Comput Biol. 2014, 10 (10):e1003895.
ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery.
Athanasiadis E, Cournia Z, Spyrou G.
Bioinformatics. 2012, 28(22), pp. 3002-3.
Structural characterization and computer-aided optimization of a small-molecule inhibitor of the Arp2/3 complex, a key regulator of the actin cytoskeleton.
Baggett AW, Cournia Z, Han MS, Patargias G, Glass AC, Liu SY, Nolen BJ.
ChemMedChem. 2012, 7(7):1286-94.
Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening.
Cournia Z, Leng L, Gandavadi S, Du X, Bucala R, Jorgensen WL.
J Med Chem. 2009, 52(2):416-24.
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study.
Cournia Z, Ullmann GM, Smith JC.
J Phys Chem B. 2007, 111(7):1786-801.
A molecular mechanics force field for biologically important sterols.
Cournia Z, Smith JC, Ullmann GM
J Comput Chem. 2005, (13):1383-99.
AFMM: A molecular mechanics force-field vibrational parametrization program.
Vaiana AC, Cournia Z, Costescu IB, Smith JC
Comput Phys Commun 2005, 167:34-42.
Derivation of a Molecular Mechanics Force-Field for Cholesterol.
Cournia Z, Vaiana AC, Smith JC, Ullmann GM
Pure Appl Chem. 2004, 76:189-196.