PhD Candidate in Computational Biophysics & Bioinformatics, Lab of Biomolecular Dynamics and Engineering, Department of Chemical Engineering, University of Patras.
PhD Candidate in Computational Biophysics with a strong background in bioinformatics and molecular modeling. Experienced in molecular dynamics simulations of protein systems, including light-harvesting complexes (FCP), permeases, and Photosystem II. Skilled in Python-based data analysis and machine learning approaches (MSM, VAMPNet) to investigate protein conformational dynamics and biomolecular interactions.
Conducts molecular dynamics simulations of protein systems including FCP complexes, permeases, and Photosystem II, and studies photoprotective mechanisms in diatom light-harvesting complexes. Analyzes MD trajectories (RMSD, RMSF, clustering, PCA, structural comparison), processes XTC trajectory data to detect molecular contacts and conformational changes, and investigates protein–lipid interactions. Develops Python pipelines for simulation analysis and visualization, applying machine learning approaches including k-means clustering, Markov State Models (MSM), and VAMPNet.
Facilitated laboratory sessions in Fortran programming and computational methods, provided guidance on code development and optimization, assisted students with data analysis and interpretation, and supervised physics laboratory experiments with supporting statistical data analysis.