| Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations H Leontiadou, I Galdadas, C Athanasiou, Z Cournia Scientific reports 8 (1), 15544, 2018 | 53 | 2018 |
| Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2 C Athanasiou, S Vasilakaki, D Dellis, Z Cournia Journal of computer-aided molecular design 32 (1), 21-44, 2018 | 29 | 2018 |
| Scaling Protein–Water Interactions in the Martini 3 Coarse-Grained Force Field to Simulate Transmembrane Helix Dimers in Different Lipid Environments A Claveras Cabezudo, C Athanasiou, A Tsengenes, RC Wade Journal of Chemical Theory and Computation, 2023 | 16 | 2023 |
| Scaling protein-water interactions in the Martini 3 coarse-grained force field to simulate transmembrane helix dimers in different lipid environments C Athanasiou, A Tsengenes, RC Wade | 16* | 2022 |
| From Computers to Bedside: Computational Chemistry Contributing to FDA Approval C Athanasiou, Z Cournia Biomolecular Simulations in Structure‐Based Drug Discovery, 163-203, 2018 | 9 | 2018 |
| Development and Biological Characterization of a Novel Selective TrkA Agonist with Neuroprotective Properties against Amyloid Toxicity T Rogdakis, D Charou, A Latorrata, E Papadimitriou, A Tsengenes, ... Biomedicines 10 (3), 614, 2022 | 7 | 2022 |
| A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics, 2023 | 2 | 2023 |
| A community effort to discover small molecule SARS-CoV-2 inhibitors J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... | | 2023 |
| Comprehensive characterization of the neurogenic and neuroprotective action of a novel TrkB agonist using mouse and human stem cell models of Alzheimer's Disease D Charou, T Rogdakis, A Latorrata, M Valcarcel, V Papadogiannis, ... bioRxiv, 2023.05. 08.539797, 2023 | | 2023 |
| Scaling protein-water interactions in the Martini 3 coarse-grained force field to simulate transmembrane helix dimers in different lipid environments AC Cabezudo, C Athanasiou, A Tsengenes, RC Wade bioRxiv, 2022 | | 2022 |
| DESIGN AND SYNTHESIS OF DEHYDROEPIANDROSTERONE-BASED NEUROTROPHIN MIMETICS D Narducci, K Prousis, A Rogdakis, C Yilmaz, A Tsengenes, ... Organising Committees, 106, 2021 | | 2021 |
| Understanding the Transmembrane Dimerization Interface of TrkA and TrkB Receptors C Athanasiou, RC Wade Biophysical Journal 120 (3), 303a, 2021 | | 2021 |
| Νovel small molecule modulators of the hotspot PIK3CA mutants identified by computational and experimental approaches Z Cournia, P Gkeka, H Leontiadou, I Galdadas, C Athanasiou, ... Cancer Research 79 (13 Supplement), 3918-3918, 2019 | | 2019 |
| Computer-aided drug design to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2 C Athanasiou, S Vasilakaki, D Dellis, Z Cournia BRFAA, 2017 | | 2017 |
| Supporting Information Using physics-based pose predictions and Free Energy Perturbation calculations to predict binding poses and relative binding affinities for FXR ligands … C Athanasiou, S Vasilakaki, D Dellis, Z Cournia | | |
