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Accelerating the Identification of Chemistry-Driven Bioactive Compounds within a Multi-Objective Optimization Framework

Combinatorial chemistry & high throughput screening, 2022-01, Vol.25 (12), p.1985-1986

Melagraki, Georgia

2022

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Nanotechnology and artificial intelligence to enable sustainable and precision agriculture

Nature plants, 2021-07, Vol.7 (7), p.864-876

2021

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Advances in de Novo Drug Design: From Conventional to Machine Learning Methods

International journal of molecular sciences, 2021-02, Vol.22 (4), p.1676

2021

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Cheminformatics Toolboxes and Workflows within KNIME Analytics

Current medicinal chemistry, 2020-01, Vol.27 (38), p.6442-6443

2020

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Enalos Suite of Tools: Enhancing Cheminformatics and Nanoinfor - matics through KNIME

Current medicinal chemistry, 2020-01, Vol.27 (38), p.6523-6535

2020

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A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform

Current topics in medicinal chemistry, 2015-01, Vol.15 (18), p.1827-1836

2015

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Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics

International journal of molecular sciences, 2020-01, Vol.21 (3), p.703

2020

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Prospects and challenges for FAIR toxicogenomics data

Nature nanotechnology, 2022-01, Vol.17 (1), p.17-18

2022

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In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes

International journal of molecular sciences, 2021-09, Vol.22 (19), p.10220

2021

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Reducing health & environmental impacts of chemical warfare agents: Computational chemistry contributions

Chemosphere (Oxford), 2022-02, Vol.288 (Pt 2), p.132564-132564, Article 132564

Melagraki, Georgia

2022

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Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

International journal of molecular sciences, 2023-11, Vol.24 (21), p.15894

2023

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Systematic Review of Naturally Derived Substances That Act as Inhibitors of the Nicotine Metabolizing Enzyme Cytochrome P450 2A6

International journal of molecular sciences, 2024-08, Vol.25 (15), p.8031

2024

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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 computational biology, 2017-04, Vol.13 (4), p.e1005372

2017

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A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation

International journal of molecular sciences, 2023-03, Vol.24 (7), p.6573

2023

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Development of a Robust Read-Across Model for the Prediction of Biological Potency of Novel Peroxisome Proliferator-Activated Receptor Delta Agonists

International journal of molecular sciences, 2024-05, Vol.25 (10), p.5216

2024

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In Vitro Toxicological Insights from the Biomedical Applications of Iron Carbide Nanoparticles in Tumor Theranostics: A Systematic Review and Meta-Analysis

Nanomaterials (Basel, Switzerland), 2024-05, Vol.14 (9), p.734

2024

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Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

Scientific data, 2021-02, Vol.8 (1), p.49-10, Article 49

2021

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Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches

Toxicology and applied pharmacology, 2013-10, Vol.272 (1), p.67-76

2013

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European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

Journal of cheminformatics, 2022-08, Vol.14 (1), p.57-57, Article 57

2022

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Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors-In Vitro, In Silico and QSAR Studies

Molecules (Basel, Switzerland), 2020-09, Vol.25 (17), p.3989

2020

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Current Status and Future Prospects of Small–molecule Protein–protein Interaction (PPI) Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

Current topics in medicinal chemistry, 2018-01, Vol.18 (8), p.661-673

2018

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Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, and Regulatory Aspects

Nanomaterials (Basel, Switzerland), 2020-04, Vol.10 (4), p.750

2020

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Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors

International journal of molecular sciences, 2020-10, Vol.21 (19), p.7002

2020

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Searching for Novel Janus Kinase-2 Inhibitors Using a Combination of Pharmacophore Modeling, 3D-QSAR Studies and Virtual Screening

Mini reviews in medicinal chemistry, 2017-01, Vol.17 (3), p.268-294

2017

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ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO2 spherical nanoparticles and calculation of their atomistic descriptors

Computational and structural biotechnology journal, 2024-12, Vol.25, p.34-46

2024

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Accelerating the Identification of Chemistry-Driven Bioactive Compounds within a Multi-Objective Optimization Framework

Nanotechnology and artificial intelligence to enable sustainable and precision agriculture

Advances in de Novo Drug Design: From Conventional to Machine Learning Methods

Cheminformatics Toolboxes and Workflows within KNIME Analytics

Enalos Suite of Tools: Enhancing Cheminformatics and Nanoinfor - matics through KNIME

A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform

Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics

Prospects and challenges for FAIR toxicogenomics data

In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes

Reducing health & environmental impacts of chemical warfare agents: Computational chemistry contributions

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

Systematic Review of Naturally Derived Substances That Act as Inhibitors of the Nicotine Metabolizing Enzyme Cytochrome P450 2A6

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)

A Systematic Review of Deep Learning Methodologies Used in the Drug Discovery Process with Emphasis on In Vivo Validation

Development of a Robust Read-Across Model for the Prediction of Biological Potency of Novel Peroxisome Proliferator-Activated Receptor Delta Agonists

In Vitro Toxicological Insights from the Biomedical Applications of Iron Carbide Nanoparticles in Tumor Theranostics: A Systematic Review and Meta-Analysis

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors-In Vitro, In Silico and QSAR Studies

Current Status and Future Prospects of Small–molecule Protein–protein Interaction (PPI) Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

Transcriptomics in Toxicogenomics, Part I: Experimental Design, Technologies, Publicly Available Data, and Regulatory Aspects

Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors

Searching for Novel Janus Kinase-2 Inhibitors Using a Combination of Pharmacophore Modeling, 3D-QSAR Studies and Virtual Screening

ASCOT: A web tool for the digital construction of energy minimized Ag, CuO, TiO2 spherical nanoparticles and calculation of their atomistic descriptors

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