Active members
Other than NMG, the group presently comprises Kolypetris George (Conserved clusters of contacts in protein structures), Zigkou Aristea-Marina (Variability of atomic density in protein structures : structural and functional implications), Giannaki Aikaterini-Alexandra (Buried β-turns in hydrophobic cores), Alexiadou Dimitra (Structural computational biology studies of a non-specific DNA-binding peptide), Gkogka Ioanna (Folding dynamics of the T-peptide in DMSO), and, Chatzopoulou Magdalene (Structural modeling of a reversed-sequence protein).
PhD theses
- Apostolou-Karampelis, K. (2016) "Study of compositional patterns, distributions and symmetries of nucleotide motifs at genome scale", PhD thesis (PDF 8.3 MBytes).
- Georgoulia P. (2012) "Computational studies of foldable tetra- and penta-peptides", PhD thesis (PDF 10 MBytes).
MSc theses
- Chatzidimitriou D. (2015) "Approaching the phase problem of X-Ray crystallography with feed forward neural networks", MSc thesis (PDF 3.0 MBytes).
Final year theses
- Athanasopoulos, P. (2020) "Crystallographic studies of a DNA methyltransferase", Diploma thesis (PDF 6.3 MBytes).
- Efraimidis E.-O. (2020) "Folding of VG16KRKP, an antimicrobial peptide", Diploma thesis (PDF 2.0 MBytes).
- Valaroutsou E. (2019) "Molecular dynamics simulation of a Vammin-derived mutant peptide", Diploma thesis (PDF 1.9 MBytes).
- Arvaniti K.-O. (2019) "Peptide folding in TFE/water mixtures", Diploma thesis (PDF 2.9 MBytes).
- Kaymaz B. (2019) "Validation of the AMBER 15SB force field using an α-Lactalbumin-derived peptide", Erasmus+ Diploma thesis (PDF 1.8 MBytes).
- Mitsikas D. (2018) "Propensities of Asn-Gly containing heptapeptides to form β-turn structures : A Molecular Dynamics simulation approach", Diploma thesis (PDF 4.2 MBytes).
- Boukoura T. (2018) "In silico mutagenesis and docking studies of an influenza hemagglutinin/receptor complex", Diploma thesis (PDF 8.5 MBytes).
- Chatzisavvas A. (2018) "Transition state identification via Q-T diagrams : application to the CLN025 peptide", Diploma thesis (PDF 2.1 MBytes).
- Chatzistylianou P. (2017) "Folding of an amyloid Αβ-derived peptide", Diploma thesis (PDF 1.5 MBytes).
- Adamidou T. (2017) "Folding of an FTZ-derived peptide", Diploma thesis (PDF 1.0 MBytes).
- Moschou D. (2017) "Application of Artificial Neural Networks to the crystallographic phase problem", Diploma thesis (PDF 1.7 MBytes).
- Riziotis I. (2017) "Two residue periodicities in protein structures: Results from a systematic search in 4-dimensional Ramachandran space", Diploma thesis (PDF 4.0 MBytes).
- Serafeim A.-P. (2016) "Assessing the accuracy of the AMBER family of force fields : the CLN025 peptide", Diploma thesis (PDF 2.5 MBytes).
- Baltzis A. (2015) "Accuracy of folding simulations for marginally stable peptides : the HP21 case", Diploma thesis (PDF 2.8 MBytes).
- Koumoundourou E.-A. (2015) "Folding molecular dynamics simulations of a FMRF-amide-like peptide from C. elegans", Diploma thesis (PDF 2.3 MBytes).
- Tafarli T. (2014) "Folding molecular dynamics simulations of ubiquitin's N-terminal peptide", Diploma thesis (PDF 4.6 MBytes).
- Koukos P.I. (2013) "grcarma: A Fully Automated Task-Oriented Interface for the Analysis of Molecular Dynamics Trajectories", Diploma thesis (PDF 2.9 MBytes).
- Patmanidis I. (2013) "Folding simulations of the choline-binding repeat from the protein LytA", Diploma thesis (PDF 3.9 MBytes).
- Kontopoulos D.-G. (2012) "Pinda : a gene duplication detection program", Diploma thesis (PDF 1.7 MBytes).
- Kousa A. (2011) "Sequence-similar, structure dissimilar proteins: Anfinsen revisited.", Diploma thesis (PDF 4.7 MBytes).
- Patapati K. K. (2010) "Molecular dynamics simulations of the αLa(101-111) peptide of α-Lactalbumin", Diploma thesis (PDF 4.6 MBytes).
- Maradidou S. (2010) "Molecular dynamics simulations of the peptide AAGDYY", Diploma thesis (PDF 1.1 MBytes).
- Kokkinidou M. (2010) "Homology modelling and molecular dynamics simulations of a homotetrameric Rop variant", Diploma thesis (PDF 4.1 MBytes).
- Koutsovoulos G. (2008) "HMDock: A computer program for homology modelling and docking", Diploma thesis (PDF 1.5 MBytes).
- Pougounia A. (2007) "Computational studies of the native Rop protein", Diploma thesis (PDF 3 MBytes).
- Palitskaris D. (2007) "Peptide-nucleic acids interactions: molecular dynamics simulations of the EcoRI's recognition peptide and its cognate sequence", Diploma thesis.
- Papaioannou H. (2007) "Molecular dynamics studies of a Rop variant with a re-designed hydrophobic core: Ala(2) Ile(2) -6", Diploma thesis (PDF 8.0 MBytes).
- Georgoulia P. (2006) "Molecular dynamics simulations of an artificial 4-α-helical bundle: Ala(2) Leu(2) -8", Diploma thesis (PDF 5.5 MBytes).
Recent conference posters
- Mitsikas, D. & Glykos, N.M. (2018) "Propensities of Asn-Gly heptapeptides to form β-turn structures: a Molecular Dynamics simulation approach", HeCrA-HSCBB conference (PDF 1.9 MBytes).
- Moschou, D. & Glykos, N.M. (2016) "Approaching the crystallographic phase problem with Artificial Neural Networks", HeCrA-HSCBB conference (PDF 0.5 MBytes).
- Riziotis, I. & Glykos, N.M. (2016) "Two-residue periodicities in protein structures : Results from a systematic search in 4-dimensional Ramachandran space", HeCrA-HSCBB conference, HSBMB conference (PDF 2.0 MBytes).
- Baltzis, A. & Glykos, N.M. (2014) "Multidimensional PCA-based clustering of molecular dynamics trajectories", HeCrA conference (PDF 0.2 MBytes).
- Serafeim A.-P. & Glykos, N.M. (2014) "Molecular Dynamics Simulations of a Ten-Amino Acid Protein", HeCrA conference (PDF 0.8 MBytes).
- Patmanidis, I. & Glykos, N.M. (2012) "Folding simulations of a highly frustrated peptide", HSCBB conference (PDF 1.2 MBytes).