Open Source Chemoinformatics Software including KNIME Analytics

por Leonis, Georgios, Melagraki, Georgia, Afantitis, Antreas
Publicado 2016

Read-across predictions of nanoparticle hazard endpoints: a mathematical optimization approach

por Varsou, Dimitra-Danai, Afantitis, Antreas, Melagraki, Georgia, Sarimveis, Haralambos
Publicado 2019

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

por Mouchlis, Varnavas D., Melagraki, Georgia, Zacharia, Lefteris C., Afantitis, Antreas
Publicado 2020

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

por Papadopoulou, Dimitra, Drakopoulos, Antonios, Lagarias, Panagiotis, Melagraki, Georgia, Kollias, George, Afantitis, Antreas
Publicado 2021

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

por Koutroumpa, Nikoletta-Maria, Papavasileiou, Konstantinos D., Papadiamantis, Anastasios G., Melagraki, Georgia, Afantitis, Antreas
Publicado 2023

Editorial for the Special Issue From Nanoinformatics to Nanomaterials Risk Assessment and Governance

por Lynch, Iseult, Afantitis, Antreas, Greco, Dario, Dusinska, Maria, Banares, Miguel A., Melagraki, Georgia
Publicado 2021

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

por Moschovou, Kalliopi, Antoniou, Maria, Chontzopoulou, Eleni, Papavasileiou, Konstantinos D., Melagraki, Georgia, Afantitis, Antreas, Mavromoustakos, Thomas
Publicado 2023

In Silico Discovery of Plant-Origin Natural Product Inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL)

por Melagraki, Georgia, Ntougkos, Evangelos, Papadopoulou, Dimitra, Rinotas, Vagelis, Leonis, Georgios, Douni, Eleni, Afantitis, Antreas, Kollias, George
Publicado 2018

A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform

por Varsou, Dimitra-Danai, Afantitis, Antreas, Tsoumanis, Andreas, Melagraki, Georgia, Sarimveis, Haralambos, Valsami-Jones, Eugenia, Lynch, Iseult
Publicado 2018

Functionalized 4-Hydroxy Coumarins: Novel Synthesis, Crystal Structure and DFT Calculations

por Stefanou, Valentina, Matiadis, Dimitris, Melagraki, Georgia, Afantitis, Antreas, Athanasellis, Giorgos, Igglessi-Markopoulou, Olga, McKee, Vickie, Markopoulos, John
Publicado 2011

Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors

por Magkrioti, Christiana, Kaffe, Eleanna, Stylianaki, Elli-Anna, Sidahmet, Camelia, Melagraki, Georgia, Afantitis, Antreas, Matralis, Alexios N., Aidinis, Vassilis
Publicado 2020

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)

por Melagraki, Georgia, Ntougkos, Evangelos, Rinotas, Vagelis, Papaneophytou, Christos, Leonis, Georgios, Mavromoustakos, Thomas, Kontopidis, George, Douni, Eleni, Afantitis, Antreas, Kollias, George
Publicado 2017

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

por Saarimäki, Laura Aliisa, Federico, Antonio, Lynch, Iseult, Papadiamantis, Anastasios G., Tsoumanis, Andreas, Melagraki, Georgia, Afantitis, Antreas, Serra, Angela, Greco, Dario
Publicado 2021

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

por Mouchlis, Varnavas D., Afantitis, Antreas, Serra, Angela, Fratello, Michele, Papadiamantis, Anastasios G., Aidinis, Vassilis, Lynch, Iseult, Greco, Dario, Melagraki, Georgia
Publicado 2021

An In Vitro Dosimetry Tool for the Numerical Transport Modeling of Engineered Nanomaterials Powered by the Enalos RiskGONE Cloud Platform

por Cheimarios, Nikolaos, Pem, Barbara, Tsoumanis, Andreas, Ilić, Krunoslav, Vrček, Ivana Vinković, Melagraki, Georgia, Bitounis, Dimitrios, Isigonis, Panagiotis, Dusinska, Maria, Lynch, Iseult, Demokritou, Philip, Afantitis, Antreas
Publicado 2022

Defining the Surface Oxygen Threshold That Switches the Interaction Mode of Graphene Oxide with Bacteria

por Guo, Zhiling, Zhang, Peng, Xie, Changjian, Voyiatzis, Evangelos, Faserl, Klaus, Chetwynd, Andrew J., Monikh, Fazel Abdolahpur, Melagraki, Georgia, Zhang, Zhiyong, Peijnenburg, Willie J. G. M., Afantitis, Antreas, Chen, Chunying, Lynch, Iseult
Publicado 2023

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

por Chayrov, Radoslav, Parisis, Nikolaos A., Chatziathanasiadou, Maria V., Vrontaki, Eleni, Moschovou, Kalliopi, Melagraki, Georgia, Sbirkova-Dimitrova, Hristina, Shivachev, Boris, Schmidtke, Michaela, Mitrev, Yavor, Sticha, Martin, Mavromoustakos, Thomas, Tzakos, Andreas G., Stankova, Ivanka
Publicado 2020

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

por Papadiamantis, Anastasios G., Jänes, Jaak, Voyiatzis, Evangelos, Sikk, Lauri, Burk, Jaanus, Burk, Peeter, Tsoumanis, Andreas, Ha, My Kieu, Yoon, Tae Hyun, Valsami-Jones, Eugenia, Lynch, Iseult, Melagraki, Georgia, Tämm, Kaido, Afantitis, Antreas
Publicado 2020

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

por van Rijn, Jeaphianne, Afantitis, Antreas, Culha, Mustafa, Dusinska, Maria, Exner, Thomas E., Jeliazkova, Nina, Longhin, Eleonora Marta, Lynch, Iseult, Melagraki, Georgia, Nymark, Penny, Papadiamantis, Anastasios G., Winkler, David A., Yilmaz, Hulya, Willighagen, Egon
Publicado 2022

Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data

por Papadiamantis, Anastasios G., Klaessig, Frederick C., Exner, Thomas E., Hofer, Sabine, Hofstaetter, Norbert, Himly, Martin, Williams, Marc A., Doganis, Philip, Hoover, Mark D., Afantitis, Antreas, Melagraki, Georgia, Nolan, Tracy S., Rumble, John, Maier, Dieter, Lynch, Iseult
Publicado 2020