Active members
Other than NMG, the group presently comprises Karasoultanis Georgios (ncarma: a TUI-based program for the analysis of molecular dynamics trajectories), Nikolopoulou Drosoula (Homology modeling of the complex between the Repressor of Primer protein and its cognate RNA kissing complex), Mantis Christos (PCA-based clustering of protein structures), Vouzina Olympia-Dialekti (Folding studies of the A31P Rop mutant using a coarse-grained force field), Kolypetris George (Conserved clusters of contacts in protein structures), Alexiadou Dimitra (Structural computational biology studies of a non-specific DNA-binding peptide), 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
- Giannaki, A.-A. (2021) "Buried β-turns in hydrophobic cores: Structural and Functional Implications", Diploma thesis (PDF 3.6 MBytes).
- Gkogka, I. (2021) "Folding dynamics of the T-peptide in DMSO", Diploma thesis (PDF 3.4 MBytes).
- 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
- Giannaki, A.-A. & Glykos, N.M. (2021) "Buried β-turns in hydrophobic cores: Structural and Functional Implications", HeCrA conference (PDF 0.8 MBytes).
- 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).