Open Source Chemoinformatics Software including KNIME Analytics

af Leonis, Georgios, Melagraki, Georgia, Afantitis, Antreas
Udgivet i Handbook of Computational Chemistry (2016)

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

af Mouchlis, Varnavas D., Melagraki, Georgia, Zacharia, Lefteris C., Afantitis, Antreas
Udgivet i Int J Mol Sci (2020)

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

af Lynch, Iseult, Afantitis, Antreas, Greco, Dario, Dusinska, Maria, Banares, Miguel A., Melagraki, Georgia
Udgivet i Nanomaterials (Basel) (2021)

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

af Melagraki, Georgia, Ntougkos, Evangelos, Papadopoulou, Dimitra, Rinotas, Vagelis, Leonis, Georgios, Douni, Eleni, Afantitis, Antreas, Kollias, George
Udgivet i Front Pharmacol (2018)

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

af Stefanou, Valentina, Matiadis, Dimitris, Melagraki, Georgia, Afantitis, Antreas, Athanasellis, Giorgos, Igglessi-Markopoulou, Olga, McKee, Vickie, Markopoulos, John
Udgivet i Molecules (2011)

Structure-Based Discovery of Novel Chemical Classes of Autotaxin Inhibitors

af Magkrioti, Christiana, Kaffe, Eleanna, Stylianaki, Elli-Anna, Sidahmet, Camelia, Melagraki, Georgia, Afantitis, Antreas, Matralis, Alexios N., Aidinis, Vassilis
Udgivet i Int J Mol Sci (2020)

IDENTIFICATION OF PUTATIVE ESTROGEN RECEPTOR-MEDIATED ENDOCRINE DISRUPTING CHEMICALS USING QSAR- AND STRUCTURE-BASED VIRTUAL SCREENING APPROACHES

af Zhang, Liying, Sedykh, Alexander, Tripathi, Ashutosh, Zhu, Hao, Afantitis, Antreas, Mouchlis, Varnavas D., Melagraki, Georgia, Rusyn, Ivan, Tropsha, Alexander
Udgivet 2013

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)

af Melagraki, Georgia, Ntougkos, Evangelos, Rinotas, Vagelis, Papaneophytou, Christos, Leonis, Georgios, Mavromoustakos, Thomas, Kontopidis, George, Douni, Eleni, Afantitis, Antreas, Kollias, George
Udgivet i PLoS Comput Biol (2017)

Manually curated transcriptomics data collection for toxicogenomic assessment of engineered nanomaterials

af Saarimäki, Laura Aliisa, Federico, Antonio, Lynch, Iseult, Papadiamantis, Anastasios G., Tsoumanis, Andreas, Melagraki, Georgia, Afantitis, Antreas, Serra, Angela, Greco, Dario
Udgivet i Sci Data (2021)

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

af Mouchlis, Varnavas D., Afantitis, Antreas, Serra, Angela, Fratello, Michele, Papadiamantis, Anastasios G., Aidinis, Vassilis, Lynch, Iseult, Greco, Dario, Melagraki, Georgia
Udgivet i Int J Mol Sci (2021)

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

af 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
Udgivet i Molecules (2020)

Predicting Cytotoxicity of Metal Oxide Nanoparticles Using Isalos Analytics Platform

af 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
Udgivet i Nanomaterials (Basel) (2020)

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

af 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
Udgivet i Nanomaterials (Basel) (2020)

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

af Kinaret, Pia Anneli Sofia, Serra, Angela, Federico, Antonio, Kohonen, Pekka, Nymark, Penny, Liampa, Irene, Ha, My Kieu, Choi, Jang-Sik, Jagiello, Karolina, Sanabria, Natasha, Melagraki, Georgia, Cattelani, Luca, Fratello, Michele, Sarimveis, Haralambos, Afantitis, Antreas, Yoon, Tae-Hyun, Gulumian, Mary, Grafström, Roland, Puzyn, Tomasz, Greco, Dario
Udgivet i Nanomaterials (Basel) (2020)

Transcriptomics in Toxicogenomics, Part III: Data Modelling for Risk Assessment

af Serra, Angela, Fratello, Michele, Cattelani, Luca, Liampa, Irene, Melagraki, Georgia, Kohonen, Pekka, Nymark, Penny, Federico, Antonio, Kinaret, Pia Anneli Sofia, Jagiello, Karolina, Ha, My Kieu, Choi, Jang-Sik, Sanabria, Natasha, Gulumian, Mary, Puzyn, Tomasz, Yoon, Tae-Hyun, Sarimveis, Haralambos, Grafström, Roland, Afantitis, Antreas, Greco, Dario
Udgivet i Nanomaterials (Basel) (2020)

Transcriptomics in Toxicogenomics, Part II: Preprocessing and Differential Expression Analysis for High Quality Data

af Federico, Antonio, Serra, Angela, Ha, My Kieu, Kohonen, Pekka, Choi, Jang-Sik, Liampa, Irene, Nymark, Penny, Sanabria, Natasha, Cattelani, Luca, Fratello, Michele, Kinaret, Pia Anneli Sofia, Jagiello, Karolina, Puzyn, Tomasz, Melagraki, Georgia, Gulumian, Mary, Afantitis, Antreas, Sarimveis, Haralambos, Yoon, Tae-Hyun, Grafström, Roland, Greco, Dario
Udgivet i Nanomaterials (Basel) (2020)

Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?

af Lynch, Iseult, Afantitis, Antreas, Exner, Thomas, Himly, Martin, Lobaskin, Vladimir, Doganis, Philip, Maier, Dieter, Sanabria, Natasha, Papadiamantis, Anastasios G., Rybinska-Fryca, Anna, Gromelski, Maciej, Puzyn, Tomasz, Willighagen, Egon, Johnston, Blair D., Gulumian, Mary, Matzke, Marianne, Green Etxabe, Amaia, Bossa, Nathan, Serra, Angela, Liampa, Irene, Harper, Stacey, Tämm, Kaido, Jensen, Alexander CØ, Kohonen, Pekka, Slater, Luke, Tsoumanis, Andreas, Greco, Dario, Winkler, David A., Sarimveis, Haralambos, Melagraki, Georgia
Udgivet i Nanomaterials (Basel) (2020)

Collaborative development of predictive toxicology applications

af Hardy, Barry, Douglas, Nicki, Helma, Christoph, Rautenberg, Micha, Jeliazkova, Nina, Jeliazkov, Vedrin, Nikolova, Ivelina, Benigni, Romualdo, Tcheremenskaia, Olga, Kramer, Stefan, Girschick, Tobias, Buchwald, Fabian, Wicker, Joerg, Karwath, Andreas, Gütlein, Martin, Maunz, Andreas, Sarimveis, Haralambos, Melagraki, Georgia, Afantitis, Antreas, Sopasakis, Pantelis, Gallagher, David, Poroikov, Vladimir, Filimonov, Dmitry, Zakharov, Alexey, Lagunin, Alexey, Gloriozova, Tatyana, Novikov, Sergey, Skvortsova, Natalia, Druzhilovsky, Dmitry, Chawla, Sunil, Ghosh, Indira, Ray, Surajit, Patel, Hitesh, Escher, Sylvia
Udgivet 2010

NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment

af Afantitis, Antreas, Melagraki, Georgia, Isigonis, Panagiotis, Tsoumanis, Andreas, Varsou, Dimitra Danai, Valsami-Jones, Eugenia, Papadiamantis, Anastasios, Ellis, Laura-Jayne A., Sarimveis, Haralambos, Doganis, Philip, Karatzas, Pantelis, Tsiros, Periklis, Liampa, Irene, Lobaskin, Vladimir, Greco, Dario, Serra, Angela, Kinaret, Pia Anneli Sofia, Saarimäki, Laura Aliisa, Grafström, Roland, Kohonen, Pekka, Nymark, Penny, Willighagen, Egon, Puzyn, Tomasz, Rybinska-Fryca, Anna, Lyubartsev, Alexander, Alstrup Jensen, Keld, Brandenburg, Jan Gerit, Lofts, Stephen, Svendsen, Claus, Harrison, Samuel, Maier, Dieter, Tamm, Kaido, Jänes, Jaak, Sikk, Lauri, Dusinska, Maria, Longhin, Eleonora, Rundén-Pran, Elise, Mariussen, Espen, El Yamani, Naouale, Unger, Wolfgang, Radnik, Jörg, Tropsha, Alexander, Cohen, Yoram, Leszczynski, Jerzy, Ogilvie Hendren, Christine, Wiesner, Mark, Winkler, David, Suzuki, Noriyuki, Yoon, Tae Hyun, Choi, Jang-Sik, Sanabria, Natasha, Gulumian, Mary, Lynch, Iseult
Udgivet i Comput Struct Biotechnol J (2020)