Computational approaches in target identification and drug discovery

por Katsila, Theodora, Spyroulias, Georgios A., Patrinos, George P., Matsoukas, Minos-Timotheos
Publicado 2016

A COVID moonshot: assessment of ligand binding to the SARS-CoV-2 main protease by saturation transfer difference NMR spectroscopy

por Kantsadi, Anastassia L., Cattermole, Emma, Matsoukas, Minos-Timotheos, Spyroulias, Georgios A., Vakonakis, Ioannis
Publicado 2021

Novel Hit Compounds as Putative Antifungals: The Case of Aspergillus fumigatus

por Kritsi, Eftichia, Matsoukas, Minos-Timotheos, Potamitis, Constantinos, Detsi, Anastasia, Ivanov, Marija, Sokovic, Marina, Zoumpoulakis, Panagiotis
Publicado 2019

Challenges in identifying large germline structural variants for clinical use by long read sequencing

por Jenko Bizjan, Barbara, Katsila, Theodora, Tesovnik, Tine, Šket, Robert, Debeljak, Maruša, Matsoukas, Minos Timotheos, Kovač, Jernej
Publicado 2019

A Robust Machine Learning Framework Built Upon Molecular Representations Predicts CYP450 Inhibition: Toward Precision in Drug Repurposing

por Ouzounis, Sotiris, Panagiotopoulos, Vasilis, Bafiti, Vivi, Zoumpoulakis, Panagiotis, Cavouras, Dionisis, Kalatzis, Ioannis, Matsoukas, Minos-Timotheos, Katsila, Theodora
Publicado 2023

Design of Linear and Cyclic Mutant Analogues of Dirucotide Peptide (MBP(82–98)) against Multiple Sclerosis: Conformational and Binding Studies to MHC Class II

por Deraos, George, Kritsi, Eftichia, Matsoukas, Minos-Timotheos, Christopoulou, Konstantina, Kalbacher, Hubert, Zoumpoulakis, Panagiotis, Apostolopoulos, Vasso, Matsoukas, John
Publicado 2018

Identification of compounds that bind the centriolar protein SAS-6 and inhibit its oligomerization

por Busch, Julia M.C., Matsoukas, Minos-Timotheos, Musgaard, Maria, Spyroulias, Georgios A., Biggin, Philip C., Vakonakis, Ioannis
Publicado 2021

The size matters? A computational tool to design bivalent ligands

por Pérez-Benito, Laura, Henry, Andrew, Matsoukas, Minos-Timotheos, Lopez, Laura, Pulido, Daniel, Royo, Miriam, Cordomí, Arnau, Tresadern, Gary, Pardo, Leonardo
Publicado 2018

Reduction of stress responses in honey bees by synthetic ligands targeting an allatostatin receptor

por Sánchez-Morales, Adrià, Gigoux, Véronique, Matsoukas, Minos-Timotheos, Perez-Benito, Laura, Fourmy, Daniel, Alibes, Ramón, Busqué, Félix, Cordomí, Arnau, Devaud, Jean-Marc
Publicado 2022

W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics

por Ridgway, Harry, Orbell, John D., Matsoukas, Minos-Timotheos, Kelaidonis, Konstantinos, Moore, Graham J., Tsiodras, Sotiris, Gorgoulis, Vasilis G., Chasapis, Christos T., Apostolopoulos, Vasso, Matsoukas, John M.
Publicado 2023

Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose

por Makrynitsa, Garyfallia I., Ntonti, Dioni, Marousis, Konstantinos D., Birkou, Maria, Matsoukas, Minos-Timotheos, Asami, Sam, Bentrop, Detlef, Papageorgiou, Nicolas, Canard, Bruno, Coutard, Bruno, Spyroulias, Georgios A.
Publicado 2019

Molecular Epidemiology of SARS-CoV-2: The Dominant Role of Arginine in Mutations and Infectivity

por Ridgway, Harry, Ntallis, Charalampos, Chasapis, Christos T., Kelaidonis, Konstantinos, Matsoukas, Minos-Timotheos, Plotas, Panagiotis, Apostolopoulos, Vasso, Moore, Graham, Tsiodras, Sotirios, Paraskevis, Dimitrios, Mavromoustakos, Thomas, Matsoukas, John M.
Publicado 2023