Discovery of Novel Allosteric Inhibitor Hits for Insulin-Regulated Aminopeptidase Provides Insights on Enzymatic Mechanism by Galateia Georgaki, Nikoletta-Maria Koutroumpa, Panagiotis Lagarias, Antreas Afantitis, Athanasios Papakyriakou, Efstratios Stratikos

Get full text

Prediction of blood–brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks by Nikoletta-Maria Koutroumpa, Andreas Tsoumanis, Haralambos Sarimveis, Iseult Lynch, Georgia Melagraki, Antreas Afantitis

Get full text

The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential by Dimitra-Danai Varsou, Arkaprava Banerjee, Joyita Roy, Kunal Roy, Giannis Savvas, Haralambos Sarimveis, Ewelina Wyrzykowska, Mateusz Balicki, Tomasz Puzyn, Georgia Melagraki, Iseult Lynch, Antreas Afantitis

Get full text

A Nano Risk Governance Portal supporting risk governance of nanomaterials and nano-enabled products by Panagiotis Isigonis, Evert A. Bouman, Dimitra-Danai Varsou, Keld Alstrup Jensen, Wouter Fransman, Damjana Drobne, Blanca Pozuelo Rollon, Arantxa Ballesteros, Isabel Rodríguez-Llopis, Arto Säämänen, Antreas Afantitis

Get full text

SbD4Skin by EosCloud: Integrating multi-view molecular representation for predicting skin sensitization, irritation, and acute dermal toxicity by Nikoletta-Maria Koutroumpa, Dimitra-Danai Varsou, Panagiotis D. Kolokathis, Maria Antoniou, Konstantinos D. Papavasileiou, Eleni Papadopoulou, Anastasios G. Papadiamantis, Andreas Tsoumanis, Georgia Melagraki, Milica Velimirovic, Antreas Afantitis

Get full text

EthnoHERBS: Harnessing traditional herbal knowledge for biodiversity conservation and innovative health solutions by Dimitrios Zouraris, Konstantia Graikou, Panagiotis Vasileiou, Vladimir Dimitrov, Zora Dajic Stevanovic, Anna Rita Bilia, Jelena Zivkovic, Alberto Dias, Konstantinos Kasiotis, Konstantinos Gardikis, Paula Dias, Mirko Oluški, Juan Ramón Muñoz Montaño, Hristina Hristova, Hristo Iliev, Giovanna Petrangolini, Antreas Afantitis, Nektarios Aligiannis

Get full text

CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials by Dimitrios Zouraris, Angelos Mavrogiorgis, Andreas Tsoumanis, Laura Aliisa Saarimäki, Giusy del Giudice, Antonio Federico, Angela Serra, Dario Greco, Ian Rouse, Julia Subbotina, Vladimir Lobaskin, Karolina Jagiello, Krzesimir Ciura, Beata Judzinska, Alicja Mikolajczyk, Anita Sosnowska, Tomasz Puzyn, Mary Gulumian, Victor Wepener, Diego S.T. Martinez, Romana Petry, Naouale El Yamani, Elise Rundén-Pran, Sivakumar Murugadoss, Sergey Shaposhnikov, Vasileios Minadakis, Periklis Tsiros, Harry Sarimveis, Eleonora Marta Longhin, Tanima SenGupta, Ann-Karin Hardie Olsen, Viera Skakalova, Peter Hutar, Maria Dusinska, Anastasios G. Papadiamantis, L. Cristiana Gheorghe, Katie Reilly, Emilie Brun, Sami Ullah, Sebastien Cambier, Tommaso Serchi, Kaido Tämm, Candida Lorusso, Francesco Dondero, Evangelos Melagrakis, Muhammad Moazam Fraz, Georgia Melagraki, Iseult Lynch, Antreas Afantitis

Get full text