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Zoe Cournia
Zoe Cournia
Senior Researcher - Associate Professor level, Biomedical Research Foundation, Academy of Athens
Verified email at bioacademy.gr - Homepage
Title
Cited by
Cited by
Year
Structure-based virtual screening for drug discovery: principles, applications and recent advances
E Lionta, G Spyrou, D K Vassilatis, Z Cournia
Current topics in medicinal chemistry 14 (16), 1923-1938, 2014
9672014
Relative binding free energy calculations in drug discovery: recent advances and practical considerations
Z Cournia, B Allen, W Sherman
Journal of chemical information and modeling 57 (12), 2911-2937, 2017
5582017
Membrane protein structure, function, and dynamics: a perspective from experiments and theory
Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ...
The Journal of membrane biology 248, 611-640, 2015
2152015
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation study
Z Cournia, GM Ullmann, JC Smith
The journal of physical chemistry B 111 (7), 1786-1801, 2007
1522007
Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening
Z Cournia, L Leng, S Gandavadi, X Du, R Bucala, WL Jorgensen
Journal of medicinal chemistry 52 (2), 416-424, 2009
1472009
Rigorous free energy simulations in virtual screening
Z Cournia, BK Allen, T Beuming, DA Pearlman, BK Radak, W Sherman
Journal of chemical information and modeling 60 (9), 4153-4169, 2020
1382020
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Y Wang, P Gkeka, JE Fuchs, KR Liedl, Z Cournia
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (11), 2846-2857, 2016
1162016
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
A Rizzi, T Jensen, DR Slochower, M Aldeghi, V Gapsys, D Ntekoumes, ...
Journal of computer-aided molecular design 34 (5), 601-633, 2020
1062020
Investigating the Structure and Dynamics of the PIK3CA Wild-Type and H1047R Oncogenic Mutant
P Gkeka, T Evangelidis, M Pavlaki, V Lazani, S Christoforidis, B Agianian, ...
PLoS computational biology 10 (10), e1003895, 2014
962014
Therapeutic effects of an anti-Myc drug on mouse pancreatic cancer
D Stellas, M Szabolcs, S Koul, Z Li, A Polyzos, C Anagnostopoulos, ...
Journal of the National Cancer Institute 106 (12), dju320, 2014
892014
Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)
AA Hare, L Leng, S Gandavadi, X Du, Z Cournia, R Bucala, ...
Bioorganic & medicinal chemistry letters 20 (19), 5811-5814, 2010
852010
Nurr1: RXRα heterodimer activation as monotherapy for Parkinson’s disease
AD Spathis, X Asvos, D Ziavra, T Karampelas, S Topouzis, Z Cournia, ...
Proceedings of the National Academy of Sciences 114 (15), 3999-4004, 2017
762017
Magnetic nanoparticles coated with polyarabic acid demonstrate enhanced drug delivery and imaging properties for cancer theranostic applications
M Patitsa, K Karathanou, Z Kanaki, L Tzioga, N Pippa, C Demetzos, ...
Scientific reports 7 (1), 775, 2017
752017
Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion
P Gkeka, P Angelikopoulos, L Sarkisov, Z Cournia
PLoS computational biology 10 (12), e1003917, 2014
722014
ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery
E Athanasiadis, Z Cournia, G Spyrou
Bioinformatics 28 (22), 3002-3003, 2012
652012
Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes
P Angelikopoulos, L Sarkisov, Z Cournia, P Gkeka
Nanoscale 9 (3), 1040-1048, 2017
622017
Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery
M Kotzabasaki, I Galdadas, E Tylianakis, E Klontzas, Z Cournia, ...
Journal of materials chemistry B 5 (18), 3277-3282, 2017
572017
Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations
H Leontiadou, I Galdadas, C Athanasiou, Z Cournia
Scientific reports 8 (1), 15544, 2018
532018
Free energy calculations reveal the origin of binding preference for aminoadamantane blockers of influenza A/M2TM pore
P Gkeka, S Eleftheratos, A Kolocouris, Z Cournia
Journal of Chemical Theory and Computation 9 (2), 1272-1281, 2013
522013
A molecular mechanics force field for biologically important sterols
Z Cournia, JC Smith, GM Ullmann
Journal of computational chemistry 26 (13), 1383-1399, 2005
522005
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