Concepedia
Statistics
Publications
49
Citations
3.3K
H-Index
30
Active since
2004
Affiliations
Academy of Athens(Current)
National and Kapodistrian University of Athens
Heidelberg University
Biomedical Research Foundation of the Academy of Athens
University of Ioannina
Zoe Cournia is an author at Academy of Athens specializing in medicine, engineering, and computational chemistry.
Top concepts
MedicineEngineeringBiochemistryDrug DiscoveryComputational ChemistryBiophysicsMolecular BiologyMolecular DockingNatural SciencesMolecular Dynamics
Publications per year
2004–2024
Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations
Zoe Cournia, Bryce K. Allen, Woody Sherman · Journal of Chemical Information and Modeling · 2017 · 791 citations · Full text
Drug Target, Engineering, Molecular Biology +20
Rigorous Free Energy Simulations in Virtual Screening
Zoe Cournia, Bryce K. Allen, Thijs Beuming et al. · Journal of Chemical Information and Modeling · 2020 · 213 citations · Full text
Engineering, Molecular Biology, Computational Chemistry +19
Differential Effects of Cholesterol, Ergosterol and Lanosterol on a Dipalmitoyl Phosphatidylcholine Membrane: A Molecular Dynamics Simulation Study
Zoe Cournia, G. Matthias Ullmann, Jeremy C. Smith · The Journal of Physical Chemistry B · 2007 · 144 citations
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Wang Yin, Paraskevi Gkeka, Julian E. Fuchs et al. · Biochimica et Biophysica Acta (BBA) - Biomembranes · 2016 · 144 citations
Engineering, Dppc-cholesterol Phase Diagram, Computational Chemistry +3
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Andrea Rizzi, Travis Jensen, David R. Slochower et al. · Journal of Computer-Aided Molecular Design · 2020 · 136 citations · Full text
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