Christina Athanasiou
PreDoc Molecular and Cellular ModelingContact
Phone: +49 6221 – 533 – 227
Fax: +49 6221 – 533 – 298
Research Interests
- Molecular simulations of ligands and proteins
- Computer-aided drug design
Education
- 2017 – Diploma in Chemical Engineering, National Technical University of Athens, Greece
Publications
- C. Athanasiou, Z., Cournia, From Computers to Bedside: Computational Chemistry Contributing to FDA Approval, Biomolecular Simulations in Structure‐Based Drug Discovery (eds F. L. Gervasio and V. Spiwok) (2019), DOI: 10.1002/9783527806836.ch7.
- H. Leontiadou, I. Galdadas, C. Athanasiou, Z. Cournia, Insights into the mechanism of PIK3CA E545K activating mutation using MD simulations, Sci Rep (2018), 8:15544, DOI: 10.1038/s41598-018-27044-6.
- C. Athanasiou, S. Vasilakaki, D. Dellis, Z. Cournia, 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, Comput Aided Mol Des (2018), 32:21, DOI: 10.1007/s10822-017-0075-9
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