Georgia Melagraki

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
HydroNanoConstruct: A Web Application for Digital Construction, Crystal Growth Investigation, and Atomistic Descriptor Calculation of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform.
J. Chem. Inf. Model.
Panagiotis D. Kolokathis, Anastasios Sourpis, Dimitris Mintis, Andreas Tsoumanis, Georgia Melagraki, Milica Velimirovic, Iseult Lynch, Antreas Afantitis
2025 J jnl
Assessment of the Binding Patterns for Endocrine Disrupting Chemicals in Complex with Estrogen and Androgen Receptors by Leveraging the Asclepios Enalos KNIME Nodes.
J. Chem. Inf. Model.
Haralampos Tzoupis, Michail Papadourakis, Konstantinos D. Papavasileiou, Oliver Burk, Volker M. Lauschke, Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis
2025 J jnl
Prediction of blood-brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks.
J. Cheminformatics
Nikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, Iseult Lynch, Georgia Melagraki, Antreas Afantitis
2024 — conf
Enalos Cloud Platform: A User-Oriented Approach to Cheminformatics and Advanced Materials Informatics.
SETN
Dimitra-Danai Varsou, Andreas Tsoumanis, Panagiotis D. Kolokathis, Dimitris G. Mintis, Konstantinos D. Papavasileiou, Nikolaos K. Sidiropoulos, Georgia Melagraki, Antreas Afantitis
2022 J jnl
European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials.
J. Cheminformatics
Jeaphianne P. M. van Rijn, Antreas Afantitis, Mustafa Culha, Maria Dusinska, Thomas E. Exner, Nina Jeliazkova, Eleonora Marta Longhin, Iseult Lynch, Georgia Melagraki, Penny Nymark, Anastasios G. Papadiamantis, David A. Winkler, Hulya Yilmaz, Egon L. Willighagen
2017 J jnl
Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL).
PLoS Comput. Biol.
Georgia Melagraki, Evangelos Ntougkos, Vagelis Rinotas, Christos Papaneophytou, Georgios Leonis, Thomas M. Mavromoustakos, George Kontopidis, Eleni Douni, Antreas Afantitis, George Kollias
2013 J jnl
Enalos KNIME nodes: exploring environmental durability, ageing resistance and corrosion inhibition.
J. Cheminformatics
Andreas Tsoumanis, Georgia Melagraki, Antreas Afantitis
2012 J jnl
Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex in the Active Site of LOX-1.
J. Chem. Inf. Model.
Eleni Vrontaki, Georgios Leonis, Manthos G. Papadopoulos, M. Simcic, Simona Golic Grdadolnik, Antreas Afantitis, Georgia Melagraki, S. K. Hadjikakou, Thomas M. Mavromoustakos
2012 J jnl
Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA.
J. Chem. Inf. Model.
Varnavas D. Mouchlis, Georgia Melagraki, Thomas M. Mavromoustakos, George Kollias, Antreas Afantitis
2010 J jnl
Collaborative development of predictive toxicology applications.
J. Cheminformatics
Barry J. Hardy, Nicki Douglas, Christoph Helma, Micha Rautenberg, Nina Jeliazkova, Vedrin Jeliazkov, Ivelina Nikolova, Romualdo Benigni, Olga Tcheremenskaia, Stefan Kramer, Tobias Girschick, Fabian Buchwald, Jörg Wicker, Andreas Karwath, Martin Gütlein, Andreas Maunz, Haralambos Sarimveis, Georgia Melagraki, Antreas Afantitis, Pantelis Sopasakis, David Gallagher, Vladimir Poroikov, Dmitry Filimonov, Alexey V. Zakharov, Alexey Lagunin, Tatyana Gloriozova, Sergey Novikov, Natalia Skvortsova, Dmitry S. Druzhilovskiy, Sunil Chawla, Indira Ghosh, Surajit Ray, Hitesh Patel, Sylvia Escher
2007 J jnl
Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening.
J. Comput. Aided Mol. Des.
Georgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou
2006 J jnl
Investigation of substituent effect of 1-(3, 3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques.
J. Comput. Aided Mol. Des.
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis, Panayiotis A. Koutentis, John Markopoulos, Olga Igglessi-Markopoulou