ΕρΓΑ Lab
The webpage bioerga.di.uoa.gr provides, inter alia, a number of web tools and interfaces in the area of applications of informatics in biology.
Multiprobe LSH approximate nearest neighbors. A web interface for LSHKIT: A C++ Locality Sensitive Hashing Library for approximate nearest neighbor searching in high dimensions (Author: Wei Dong at Princeton University). The web app can be used for Protein sequence similarity search with data from the Protein Data Bank (PDB) and is part of Deliverable Π4.1 of the “INSPIRED-ΕΚΠΑ” research project.
High-dimensional approximate nearest neighbors. k-d Generalized Randomized Forests (kd-GeRaf): A new data-structure for approximate nearest neighbor searching in high dimensions that introduces new randomization techniques to specify a set of independently constructed trees where search is performed simultaneously, hence increasing accuracy. Backtracking is omitted, and distance calculations are optimized, thus accelerating queries. The method is released as a web application. Paper by Avrithis, Emiris, Samaras. The web app can be used for Protein sequence similarity search with data from the Protein Data Bank (PDB) and is part of Deliverable Π4.1 of the “INSPIRED-ΕΚΠΑ” research project.
Lakes is a software tool for the prediction of protein binding sites. It analyzes the solvent and its contacts with proteins and defines clusters of water molecules, which mark potentially exposed interaction and binding sites of the protein. Contact: Dr Thanassis Tartas. Figure: black is the protein, colored are the oxygen atoms of clusters, red being the largest cluster.
Molecular conformations in Structural bioinformatics. Enumeration of all possible conformations of (small) molecules/proteins under geometric constrains; C-Space (interactive example). Paper by Emiris, Fritzilas, Manocha. Sampling of rotamers, and clustering to deduce structural determinants.
Graph embedding in Euclidean spaces, rigidity theory, enumerative problems of embeddings, distance geometry to compute conformations from NMR data.
Structure of Transmembrane proteins. Geometric modelling of β-barrels and detection of the transmembrane region of a β-barrel transmembrane protein. Given a PDB file, the transmembrane region is detected by profiling the external residues of the β-barrel along its axis in terms of hydrophobicity and existence of aromatic and charged residues. Our geometric modeling of the barrel relies on combining nonlinear least square minimization and a genetic algorithm. TbB-Tool is the software tool. Paper.
Biomedical AI lab
The Biomedical AI lab develops methods in signal & image processing, machine & deep learning, high-performance computing to address problems in Biomedicine and Systems Biology. We focus on mathematical and computational modeling and develop algorithms and software tools. The lab is headed by Prof. Elias S. Manolakos. Software tools improved and made openly available during the INSPIRED project are:
- PyMCPSC
• Python-based utility for Multi-Criteria Protein Structure Comparison (MCPSC)
• Allows efficient comparison of protein structures using alternative methods and consensus scoring methods and exploits the parallelism of multi-core CPUs for high-performance computing
• The source code and documentation of pyMCPSC are available under the GPLv3.0 license through our GitLab repository.
- ViSCAR
• Set of methods and functions for the image analysis of cytometry "cell-movies“ (videos)
• Visually explores and correlates single-cell attributes
• Used to model and visualize spatiotemporal evolution at different levels of microbial community organization
• Empowers researchers to capture and characterize stochasticity and decipher dynamic behavior
• The source code and documentation of ViSCAR are available under the GPLv3.0 license through our GitLab repository.
Bioinformatics services include:
Protein crystallography data processing and management
Small molecule crystallography data processing and management
Structure solution for proteins and small molecules
In silico ligand and protein design and modelling
In silico drug screening
Visit the provider's website: http://inspired.aua.gr/instruct/
Server consists of 24 units of 8-core Intel Xeon 2.8GHz workstations with 32GB internal memory each.
A great variety of tools are used by experienced staff according to the biophysical and structural method. For structural analysis CCP4 suite, Phenix suite, Pymol, Coot and ATSAS are provided. For Molecular dynamics Amber program is used. For the secondary structure prediction Phyre program, Jasco CD software, CDtool and CDpy are used.
Ioannis Emiris is a Professor of Informatics and Telecommunications at the National and Kapodistrian University of Athens, and President and General Director of ATHENA Research Center. He has been a Researcher at INRIA Sophia-Antipolis from 1995 to 2002, and has been an external collaborator since then. He obtained his BScEng from Princeton University in 1989, and his PhD from U.C. Berkeley in 1994, both in Computer Science. His interests span Scientific Computing, Computational Geometry, Robotics, Bioinformatics, and Machine Learning. He has founded and leads the Lab of Geometric and Algebraic Algorithms, which has enjoyed funding through several European, bilateral, national, and industrial projects. He has supervised 13 PhD theses and 8 postdoctoral fellows. He is author of one scientific textbook, co-editor of two volumes, co-owner of an industrial patent, and author of more than 130 journal articles and peer-reviewed conference publications, of which two earned the Distinguished Paper Award at ACM International Symposium on Symbolic and Algebraic Computation (ISSAC); his H-index is 39.
Dr. Ioannis Chamodrakas is a member of the Laboratory Teaching Staff of the Department of Informatics and Telecommunications, National and Kapodistrian University of Athens. He studied Physics at the National and Kapodistrian University of Athens and received his degree in 1999. He continued his studies at the postgraduate level at the Department of Informatics and Telecommunications of the University of Athens, from which he received a Master's Degree in Advanced Information Systems in 2003 and a PhD in Informatics in 2009. He has participated in a large number of European and national research programs at the National and Kapodistrian University of Athens and the Athens University of Economics and Business since 1998. His research work focuses on Algorithm Engineering with Applications in Multiple Criteria Decision Making, Recommender Systems and Bioinformatics. He has authored 7 papers in leading and internationally recognized scientific journals and 10 publications in proceedings of international and national peer reviewed scientific conferences. His published work has received over 1100 citations with a Hirsch index equal to 7. He has served in the program committee of many international scientific conferences and has contributed as a reviewer to numerous international scientific journals and conferences (IEEE, Elsevier, Springer, etc.).
Professor Elias Eliopoulos is the Director of the Genetics Laboratory at the Biotechnology Department of the Agricultural University of Athens (A.U.A.) and leads the bioinformatics and structural biology group. He is professor of Biochemistry, a biophysicist and crystallographer by training with considerable experience in biomolecular structure analysis, epitope mapping of protein receptors, genetic polymorphisms and variation, cloning, with experimental and computational methods, protein structure prediction, ligand and drug design, protein design, in silico antibody design and biosoftware development. The group has experience and international reputation on computational protein folding, ab initio and homology modeling of proteins derived from edge gene research and membrane protein modeling. The group is also involved in many ligand computational design projects for pharmaceutical, medicinal and agricultural applications.
Server consists of 24 units of 8-core Intel Xeon 2.8GHz workstations with 32GB internal memory each.
EDUCATION
2019: PhD in Structural Biology and Protein Biomaterials (UoC, IMBB-FORTH - Greece)
2012: M.Sc. in Protein Biotechnology (UoC-Greece)
2009: Diploma Degree in Biology (UoC-Greece)
WORKING EXPERIENCE
Oct 2019 – Now: Post-Doctoral Researcher at I.M.B.B.-F.O.R.TH, Greece
(Laboratory of Structural Biology)
Sep 2020 – Now: Autonomous teaching and exam organizing of the under-graduate courses
"Enzymatic Biotechnology" and “Protein Engineering” at the Dept. of
Biology of the Uni. of Crete
2014 – 2020: Experienced scientist position at I.M.B.B.-F.O.R.TH, Greece (InnovCrete project /FP7-Regpot program) and at University of Crete
Oct. 2010 –Jan. 2011: Laboratory Teaching Assistant of Microbiology Teaching Lab
at the Dept. of Biology, Uni. of Crete
SELECTED PUBLICATIONS
*Kefala K., Kotsifaki D., Providaki M., Kapetaniou E., Rahme L. and Kokkinidis M. Purification, crystallization and preliminary X-ray diffraction analysis of the C-terminal fragment of the MvfR protein of Pseudomonas aeruginosa. (2012). Acta. Cryst F, 68, 695-697
*Kefala A., Kotsifaki D., Providaki M., Amprazi M. and Kokkinidis M. Expression, purification and crystallization of a protein resulting from the inversion of the aminoacid sequence of a helical bundle. (2017). ). Acta. Cryst F, 73, 51-53
Dimovasili C., Fadouloglou V.E., Kefala A., Providaki M., Kotsifaki D, Sarrou I., Plaitakis A., Zaganas I. and Kokkinidis M. Crystal structure of glutamate dehydrogenase 2, a positively selected novel human enzyme involved in brain biology and cancer pathophysiology. Journal of Neurochemistry (accepted)
RESEARCH PROFILE
Being in a Structural Biology group since 2011, Dr. Kefala A. has studied deeply the protein folding problem, elucidating the relation between amino acid sequence and structural properties of α-helical bundles. The knowledge obtained was used for protein design leading to bio-derived materials for bio-medical applications and basic research through structural studies of protein folding through reverse sequences.
Notable achievements include:
The elucidation of the protein folding of mutants of the α-helical protein Rop that is used as a canonical paradigm of this structural motif.
Protein design of novel protein-based biomaterials with specific engineered properties.
EDUCATION
2008: PhD at the European Molecular Biology Laboratory (EMBL) Hamburg Outstation, Germany (joint PhD with Heidelberg University, Germany).
2004: Diploma degree from the Department of Molecular Biology and Genetics, Democritus University of Thrace.
WORKING EXPERIENCE
2014-present: Experienced Scientist (Post-doctoral researcher) at IMBB-FORTH (partially funded from the REGPOT-InnovCrete program).
2013: Military Service.
2009-2012: Post-doctoral researcher at the Japan Synchrotron Radiation Research Institute jointly with the Department of Chemistry and Biochemistry, Kitakyushu University, Japan (JST-CREST grant).
SELECTED PUBLICATIONS
Mylonas E., Yagi N., Fujii S., Ikesue K., Ueda T., Moriyama H., Sanada Y., Uezu K., Sakurai K., Okobira T. (2019) Structural analysis of a calix[4]arene-based Platonic Micelle. Sci Rep, 9, 1982.
Charova S.N., Gazi A.D., Mylonas E., Pozidis C., Sabarit B., Anagnostou D., Psatha K., Aivaliotis M., Beuzon C.R., Panopoulos N.J., Kokkinidis M. (2018) Migration of Type III Secretion System Transcriptional Regulators Links Gene Expression to Secretion. mBio, 9(4), e01096-18.
Bernadó, P., Mylonas, E., Petoukhov, M.V., Blackledge, M. and Svergun, D.I. (2007). Structural Characterization of Flexible Proteins Using Small-Angle X-ray Scattering. JACS, 129, 5656-5664.
Tidow, H., Melero, R., Mylonas, E., Freund, S.M.V., Grossmann, J.G., Carazo, J.M., Svergun, D.I., Valle, M. and Fersht, A.R. (2007). Quaternary structures of tumor suppressor p53 and a specific p53 DNA complex. Proc Natl Acad Sci U S A, 104, 12324-12329.
Mylonas, E., Hascher, A., BernadoĢ, P., Blackledge, M., Mandelkow, E. and Svergun, D.I. (2008). Domain Conformation of Tau Protein Studied by Solution Small-Angle X-ray Scattering. Biochemistry, 47, 10345-10353.
SCΗOLARSHIPS, AWARDS and GRANTS
2004-2008: EMBL Fellowship, European Molecular Biology Laboratory (EMBL) Hamburg, Germany
2003: Academic Excellence Scholarship, Democritus University of Thrace- State Scholarships Foundation (IKY)
RESEARCH PROFILE
Efstratios Mylonas has worked on various systems such as proteins with intrinsic flexibility, non-coding RNAs, multimeric assemblies of proteins, protein-nucleic acids and even surfactants with potential use as non-viral gene delivery systems.
Notable achievements include:
The development of the Ensemble Optimization Method (EOM) for the analysis of flexible proteins, one of the most cited methods in the SAXS field.
The elucidation of the domain conformation of the natively unfolded protein tau, important in Alzheimer’s disease pathology.
The elucidation of structure of the full length tumor suppressor p53 free and in complex with DNA.
Structural analysis of surfactant assemblies with potential as gene delivery systems with SAXS and molecular dynamics simulations which led to the discovery of platonic micelles.
Characterization of nucleic acids with unusual structures, such as the immunostimulatory polypod-DNA and the cell cycle regulator non-coding RNA 6S.
Design of a restriction enzyme with new specificity.
Discovery of a direct link between expression and secretion in phytopathogenic Type III Secretion System by use of the same protein components.