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Dr. Syroulias works on the Design/Simulation and Engineering of Bioactive Molecules, such as peptide hormones and peptide epitopes. His resarch focuses on Structure-Activity Relationship by NMR and Solution Conformational Analysis of Biomolecules and Biomolecular Complexes, such as metalloproteins, metal-binding peptides, protein/peptide-peptide complexes etc. In addition he uses structural bioinformatics applied in homology modelling of unknown structures of biomolecules, protein-protein/peptides/subtrate interaction through molecular dynamics simulation, docking simulation protocols, in silico design and development of combinatorial libraries of compounds and virtual screening process towards the quest of lead-molecules with biological activity towards protein/enzyme targets, etc.