Christina Athanasiou

Insights into the mechanism of the PIK3CA E545K activating mutation using MD simulations

Hari Leontiadou, Ioannis Galdadas, Christina Athanasiou et al. · Scientific Reports · 2018 · 71 citations · Full text

Life Sciences, Molecular Biology, Oncology +17

Scaling Protein–Water Interactions in the Martini 3 Coarse-Grained Force Field to Simulate Transmembrane Helix Dimers in Different Lipid Environments

Ainara Claveras Cabezudo, Christina Athanasiou, Alexandros Tsengenes et al. · Journal of Chemical Theory and Computation · 2023 · 44 citations

Natural Sciences, Biochemistry, Biophysics +17

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

Christina Athanasiou, Sofia Vasilakaki, Dimitris Dellis et al. · Journal of Computer-Aided Molecular Design · 2017 · 28 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Development and Biological Characterization of a Novel Selective TrkA Agonist with Neuroprotective Properties against Amyloid Toxicity

Thanasis Rogdakis, Despoina Charou, Alessia Latorrata et al. · Biomedicines · 2022 · 18 citations · Full text

Medicine, Neuroscience, Pharmacology +17

A community effort in SARS‐CoV‐2 drug discovery

Johannes Schimunek, Philipp Seidl, Katarina Elez et al. · Molecular Informatics · 2023 · 18 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +12