BibTeX records: Georgia Melagraki

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@article{DBLP:journals/jcisd/KolokathisSMTMVLA26,
  author       = {Panagiotis D. Kolokathis and
                  Anastasios Sourpis and
                  Dimitris Mintis and
                  Andreas Tsoumanis and
                  Georgia Melagraki and
                  Milica Velimirovic and
                  Iseult Lynch and
                  Antreas Afantitis},
  title        = {HydroNanoConstruct: {A} Web Application for Digital Construction,
                  Crystal Growth Investigation, and Atomistic Descriptor Calculation
                  of Hydrated Metal Oxide Nanoparticles Powered by the EosCloud Platform},
  journal      = {J. Chem. Inf. Model.},
  volume       = {66},
  number       = {1},
  pages        = {1--6},
  year         = {2026},
  url          = {https://doi.org/10.1021/acs.jcim.5c01889},
  doi          = {10.1021/ACS.JCIM.5C01889},
  timestamp    = {Tue, 03 Feb 2026 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/KolokathisSMTMVLA26.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/KoutroumpaTSLMA25,
  author       = {Nikoletta{-}Maria Koutroumpa and
                  Andreas Tsoumanis and
                  Haralambos Sarimveis and
                  Iseult Lynch and
                  Georgia Melagraki and
                  Antreas Afantitis},
  title        = {Prediction of blood-brain barrier and Caco-2 permeability through
                  the Enalos Cloud Platform: combining contrastive learning and atom-attention
                  message passing neural networks},
  journal      = {J. Cheminformatics},
  volume       = {17},
  number       = {1},
  pages        = {68},
  year         = {2025},
  url          = {https://doi.org/10.1186/s13321-025-01007-2},
  doi          = {10.1186/S13321-025-01007-2},
  timestamp    = {Tue, 14 Oct 2025 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/KoutroumpaTSLMA25.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/TzoupisPPBLTMA25,
  author       = {Haralampos Tzoupis and
                  Michail Papadourakis and
                  Konstantinos D. Papavasileiou and
                  Oliver Burk and
                  Volker M. Lauschke and
                  Andreas Tsoumanis and
                  Georgia Melagraki and
                  Antreas Afantitis},
  title        = {Assessment of the Binding Patterns for Endocrine Disrupting Chemicals
                  in Complex with Estrogen and Androgen Receptors by Leveraging the
                  Asclepios Enalos {KNIME} Nodes},
  journal      = {J. Chem. Inf. Model.},
  volume       = {65},
  number       = {21},
  pages        = {11950--11964},
  year         = {2025},
  url          = {https://doi.org/10.1021/acs.jcim.5c01437},
  doi          = {10.1021/ACS.JCIM.5C01437},
  timestamp    = {Tue, 03 Feb 2026 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/TzoupisPPBLTMA25.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@inproceedings{DBLP:conf/setn/VarsouTKMPSMA24,
  author       = {Dimitra{-}Danai Varsou and
                  Andreas Tsoumanis and
                  Panagiotis D. Kolokathis and
                  Dimitris G. Mintis and
                  Konstantinos D. Papavasileiou and
                  Nikolaos K. Sidiropoulos and
                  Georgia Melagraki and
                  Antreas Afantitis},
  title        = {Enalos Cloud Platform: {A} User-Oriented Approach to Cheminformatics
                  and Advanced Materials Informatics},
  booktitle    = {Proceedings of the 13th Hellenic Conference on Artificial Intelligence,
                  {SETN} 2024, Piraeus, Greece, September 11-13, 2024},
  pages        = {53:1--53:4},
  publisher    = {{ACM}},
  year         = {2024},
  url          = {https://doi.org/10.1145/3688671.3688749},
  doi          = {10.1145/3688671.3688749},
  timestamp    = {Sat, 25 Jan 2025 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/conf/setn/VarsouTKMPSMA24.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/RijnACDEJLLMNPW22,
  author       = {Jeaphianne P. M. van Rijn and
                  Antreas Afantitis and
                  Mustafa Culha and
                  Maria Dusinska and
                  Thomas E. Exner and
                  Nina Jeliazkova and
                  Eleonora Marta Longhin and
                  Iseult Lynch and
                  Georgia Melagraki and
                  Penny Nymark and
                  Anastasios G. Papadiamantis and
                  David A. Winkler and
                  Hulya Yilmaz and
                  Egon L. Willighagen},
  title        = {European Registry of Materials: global, unique identifiers for (undisclosed)
                  nanomaterials},
  journal      = {J. Cheminformatics},
  volume       = {14},
  number       = {1},
  pages        = {57},
  year         = {2022},
  url          = {https://doi.org/10.1186/s13321-022-00614-7},
  doi          = {10.1186/S13321-022-00614-7},
  timestamp    = {Mon, 28 Aug 2023 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/RijnACDEJLLMNPW22.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/ploscb/MelagrakiNRPLMK17,
  author       = {Georgia Melagraki and
                  Evangelos Ntougkos and
                  Vagelis Rinotas and
                  Christos Papaneophytou and
                  Georgios Leonis and
                  Thomas M. Mavromoustakos and
                  George Kontopidis and
                  Eleni Douni and
                  Antreas Afantitis and
                  George Kollias},
  title        = {Cheminformatics-aided discovery of small-molecule Protein-Protein
                  Interaction {(PPI)} dual inhibitors of Tumor Necrosis Factor {(TNF)}
                  and Receptor Activator of NF-{\(\kappa\)}B Ligand {(RANKL)}},
  journal      = {PLoS Comput. Biol.},
  volume       = {13},
  number       = {4},
  year         = {2017},
  url          = {https://doi.org/10.1371/journal.pcbi.1005372},
  doi          = {10.1371/JOURNAL.PCBI.1005372},
  timestamp    = {Sun, 02 Oct 2022 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/ploscb/MelagrakiNRPLMK17.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/TsoumanisMA13,
  author       = {Andreas Tsoumanis and
                  Georgia Melagraki and
                  Antreas Afantitis},
  title        = {Enalos {KNIME} nodes: exploring environmental durability, ageing resistance
                  and corrosion inhibition},
  journal      = {J. Cheminformatics},
  volume       = {5},
  number       = {{S-1}},
  pages        = {42},
  year         = {2013},
  url          = {https://doi.org/10.1186/1758-2946-5-S1-P42},
  doi          = {10.1186/1758-2946-5-S1-P42},
  timestamp    = {Thu, 09 Jan 2025 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcheminf/TsoumanisMA13.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/MouchlisMMKA12,
  author       = {Varnavas D. Mouchlis and
                  Georgia Melagraki and
                  Thomas M. Mavromoustakos and
                  George Kollias and
                  Antreas Afantitis},
  title        = {Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-{\(\alpha\)}
                  Production: An Integrated Approach Using a Combination of Molecular
                  Docking, Classification Techniques, and 3D-QSAR CoMSIA},
  journal      = {J. Chem. Inf. Model.},
  volume       = {52},
  number       = {3},
  pages        = {711--723},
  year         = {2012},
  url          = {https://doi.org/10.1021/ci200579f},
  doi          = {10.1021/CI200579F},
  timestamp    = {Mon, 26 Oct 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/MouchlisMMKA12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcisd/VrontakiLPSGAMHM12,
  author       = {Eleni Vrontaki and
                  Georgios Leonis and
                  Manthos G. Papadopoulos and
                  M. Simcic and
                  Simona Golic Grdadolnik and
                  Antreas Afantitis and
                  Georgia Melagraki and
                  S. K. Hadjikakou and
                  Thomas M. Mavromoustakos},
  title        = {Comparative Binding Effects of Aspirin and Anti-Inflammatory Cu Complex
                  in the Active Site of {LOX-1}},
  journal      = {J. Chem. Inf. Model.},
  volume       = {52},
  number       = {12},
  pages        = {3293--3301},
  year         = {2012},
  url          = {https://doi.org/10.1021/ci3002759},
  doi          = {10.1021/CI3002759},
  timestamp    = {Fri, 06 Mar 2020 00:00:00 +0100},
  biburl       = {https://dblp.org/rec/journals/jcisd/VrontakiLPSGAMHM12.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcheminf/HardyDHRJJNBTKGBWKGMSMASGPFZLGNSDCGRPE10,
  author       = {Barry J. Hardy and
                  Nicki Douglas and
                  Christoph Helma and
                  Micha Rautenberg and
                  Nina Jeliazkova and
                  Vedrin Jeliazkov and
                  Ivelina Nikolova and
                  Romualdo Benigni and
                  Olga Tcheremenskaia and
                  Stefan Kramer and
                  Tobias Girschick and
                  Fabian Buchwald and
                  J{\"{o}}rg Wicker and
                  Andreas Karwath and
                  Martin G{\"{u}}tlein and
                  Andreas Maunz and
                  Haralambos Sarimveis and
                  Georgia Melagraki and
                  Antreas Afantitis and
                  Pantelis Sopasakis and
                  David Gallagher and
                  Vladimir Poroikov and
                  Dmitry Filimonov and
                  Alexey V. Zakharov and
                  Alexey Lagunin and
                  Tatyana Gloriozova and
                  Sergey Novikov and
                  Natalia Skvortsova and
                  Dmitry S. Druzhilovskiy and
                  Sunil Chawla and
                  Indira Ghosh and
                  Surajit Ray and
                  Hitesh Patel and
                  Sylvia Escher},
  title        = {Collaborative development of predictive toxicology applications},
  journal      = {J. Cheminformatics},
  volume       = {2},
  pages        = {7},
  year         = {2010},
  url          = {https://doi.org/10.1186/1758-2946-2-7},
  doi          = {10.1186/1758-2946-2-7},
  timestamp    = {Wed, 14 Jul 2021 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcheminf/HardyDHRJJNBTKGBWKGMSMASGPFZLGNSDCGRPE10.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcamd/MelagrakiASKMI07,
  author       = {Georgia Melagraki and
                  Antreas Afantitis and
                  Haralambos Sarimveis and
                  Panayiotis A. Koutentis and
                  John Markopoulos and
                  Olga Igglessi{-}Markopoulou},
  title        = {Optimization of biaryl piperidine and 4-amino-2-biarylurea {MCH1}
                  receptor antagonists using {QSAR} modeling, classification techniques
                  and virtual screening},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {21},
  number       = {5},
  pages        = {251--267},
  year         = {2007},
  url          = {https://doi.org/10.1007/s10822-007-9112-4},
  doi          = {10.1007/S10822-007-9112-4},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/MelagrakiASKMI07.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

@article{DBLP:journals/jcamd/AfantitisMSKMI06,
  author       = {Antreas Afantitis and
                  Georgia Melagraki and
                  Haralambos Sarimveis and
                  Panayiotis A. Koutentis and
                  John Markopoulos and
                  Olga Igglessi{-}Markopoulou},
  title        = {Investigation of substituent effect of 1-(3, 3-diphenylpropyl)-piperidinyl
                  phenylacetamides on {CCR5} binding affinity using {QSAR} and virtual
                  screening techniques},
  journal      = {J. Comput. Aided Mol. Des.},
  volume       = {20},
  number       = {2},
  pages        = {83--95},
  year         = {2006},
  url          = {https://doi.org/10.1007/s10822-006-9038-2},
  doi          = {10.1007/S10822-006-9038-2},
  timestamp    = {Thu, 16 Apr 2020 01:00:00 +0200},
  biburl       = {https://dblp.org/rec/journals/jcamd/AfantitisMSKMI06.bib},
  bibsource    = {dblp computer science bibliography, https://dblp.org}
}

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