♦ January 2024-now: computational drug design and machine learning in Santero Therapeutics
♦ Apr. 2019 -November 2023, PhD computational drug design: thermodynamic and kinetic binding free energy calculations of ligands against adenosine A3 receptor
Education:
♦ January 2024 - now, post-doc, Max-Planck Institute, Gottingen, ssNMR experiments with influenza A M2 protein (Professor Loren Adreaas)
♦Apr 2020 - December 2023, PhD
(a) design with MD and TI/MD simulations and synthesis of new inihibitors of MmpL3 transporter against tuberculosis (Pharmacy NKUA);
(b) February 2022-June 2023 contract with Max-Planck Institute, Gottingen, Germany for solid state (ss) NMR experiments with influenza A M2 protein (Loren Adreaas).
♦ 2017-2019, MRes in synthesis of SQ109 analogs against Mtb (A. Kolocouris)
♦ 2012-2017, MPharm with project thesis is synthesis of amantadine analogs against influenza A (A. Kolocouris)
♦ Skills: Organic synthesis, drug design & synthesis, binding free energy calculations, ssNMR
E-mail: marianstamp@pharm.uoa.gr
♦ September 2022-now: IFET
Education:
♦ June 2019-2022, postdoc researcher, Theranostics against prostate cancer, Lab of Medicinal Chemistry, Department of Pharmacy, NKUA and Institute Democritos, Email: liolios.xr@gmail.com
♦ 2014-2018, Post-Doc Chemical biology: Theranostics against various types of cancer, PET/SPECT Molecular imaging (German Cancer Research Center, DKFZ, Heidelberg, Germany)
♦ 2013, PhD Theranostics for Prostate cancer, PET/SPECT Molecular imaging, Pharmacology, Med. Chemistry, (Pharmacy, Univ. Patras & N.C.S.R. “Demokritos”, Greece)
♦ 2005, MSc Natural Products-Pharmacognosy, (Pharmacy, NKUA, Greece)
♦ 2003, MPharm (NKUA, Greece )
♦ Skills: Bioconjugates, Solid Phase Peptide Synthesis, Organic Synthesis, Pharmacology (in vitro, in vivo assays)
♦ 09/2020-06/2023: computational drug design in Novamechanics
♦ 09/2015 -7/2020: PhD in computational drug design and computational biochemistry against adenosine receptors (A. Kolocouris)
♦ 2013-2014: MSc in computational drug design, Chemistry, UCL, UK
♦ 2008-2012: Degree (equivalent to MSc) in Molecular Biology and Genetics, Democritus University of Thrace
♦ Skills obtained from PhD thesis: Virtual Screening, MD simulations, MM-PBSA calculations
E-mail: panagiotislagarias@gmail.com
♦ PhD student in K. Loland lab, Copenhagen; February 2021-2025; structural biology, molecular pharmacology, and computational biochemistry of transporters
♦ MRes in Biophysics (binding and NMR studies of protein-DNA complexes) with S. Shamas and C. Redfield, Biochemistry, Oxford (Oct. 2019 - Jan. 2021)
♦ 2019 MPharm, NKUA; Project thesis in MD simulations of influenza A M2 protein with A. Kolocouris (April 2019-July 2019)
♦ Internship coarse-grained MD simulations of membrane proteins aggregation in Biochemistry with M. Sansom lab, Biochemistry, Oxford, in collaboration with A. Kolocouris (Nov. 2018-April 2019)
♦ Skills obtained during project thesis and internship: Docking calculations, atomistic and coarse-grained MD simulations (Desmond, Gromacs)
E-mail: iriskalen@gmail.com; iris.kalenderoglou@sund.ku.dk
♦ Postdoc researcher in Jonathan Essex's lab (Chemistry, Southampton) (2024-now)
♦ PhD student in Jonathan Essex's lab (Chemistry, Southampton) (October 2019-2024)
♦ Master's in Computational Drug Design and Computational Biochemistry, Nov. 2017 - Aug. 2019 (Supervisor: A. Kolocouris, NKUA)
♦ 2017 M. Pharm (NKUA).
Skills: Docking and MD simulations
Project: In silico drug design and binding understanding of novel selective inhibitors of adenosine receptor using docking and MD simulations, cheminformatics.
E-mail: distamatis@hotmail.com
♦ Post-Doctoral Scholar (Apr. 2017 - March 2019, Supervisor: A. Kolocouris, NKUA)
♦ 2016 Ph.D. in Organic Chemistry (Chemistry, NKUA)
♦ 2012 Master in Organic Synthesis and its Applications in Chemical Industry (Chemistry, NKUA)
♦ 2010 Degree equivalent to M.Sc in Chemistry (NKUA)
Skills: 3D-QSAR, MD Simulations
Project: In silico drug design of novel pharmaceutical molecules as selective inhibitors of adenosine receptors.
E-mail: evrontaki@pharm.uoa.gr
Education:
♦ 01/2024-today : post-doc, Biochemistry, Copenhagen, structural biology of SLC transporters
♦ 01/2023-12/2024: post-doc Biochemistry, Oxford, substrate identification of orphan SLC transportet using biochemical and biophysical assays and binding of cholesterols using labels (S. Newstead)
♦ 10/2019-01/2023: PhD Biochemistry, Oxford, cryo-EM structure determination of an SLC transporter and computational biophysics of the interactions with cholesterol (Simon Newstead)
♦ Graduate researcher in atomistic MD simulations of membrane and soluble proteins with A. Kolocouris (June 2017 - 2019)
♦ Degree in Pharmacy (MPharm) (2012-2017)
Project thesis in pharmacology with I. Andreadou (western blot, mice models)
E-mail: dimitris.kolokouris@gmail.com
Ph.D. student (Feb. 2014 - 2018)
E-mail: tzitzo@pharm.uoa.gr
Education:
♦ 2014 Master's (two years) in Medicinal Chemistry (University of Athens)
♦ 2011 B.Sc in Chemistry (University of Athens)
Skills: Ligands and peptide synthesis, FEP calculations, MD simulations
Project: Design and synthesis and unraveling binding properties of aminoadamantane ligands and their polar head targeting at influenza M2 WT, S31N ion channel proteins and other amantadine resistant mutants.
♦ 2022-now: Cheminformatician, ChembL, Cambridge
♦ 2015-2022, PhD in Julien Michel's lab (Chemistry, Edinburgh, YK) in the biophysics of cyclophilin-inhibitor complexes
♦ 2012-2014, MRes in synthesis of influenza A M2TM peptides and FEP/MD simulations of compounds against influenza A M2 protein (Supervisors A. Kolocouris, Pharmacy NKUA, Z. Cournia, BBRFA)
♦ 2011 Degree in Chemistry (MSc equivalent, NKUA), with a project thesis in organic synthesis
E-mail: harris.ioannidis@hotmail.gr
Skills: MD simulations, FEP/MD calculations, peptide synthesis, biophysics, cheminformatics
♦ 06/2025-now: Invited Researcher, Department of Chemistry and Molecular Biology, University of Gothenburg, Sweden, Prof. Dr. Morten Grøtli
♦ 11/2023-06/2025: Researcher in computational drug design, AstraZeneca, Gothenburg
♦ 10/2021-10/2023, Marie-Curie Postdoctoral Fellow, Development of traceless affinity tags for labelling Bruton's Tyrosine Kinase, Department of Chemistry and Molecular Biology, University of Gothenburg, Sweden, Prof. Dr. Morten Grøtli, Industrial secondment in Astra-Zeneca, Gothenburg
♦ 05-09/2021, Research associate, Department of Biology, University of Minho, Braga, Portugal, Prof. Rui Oliveira, Prof. Alberto Dias
♦ 01-09/2021, Researcher – Computational Chemistry and Drug Design, NovaMechanics Ltd., Nicosia, Cyprus. CEO: Dr. Antreas Afantitis
♦ 08/2018-10/2018, Research associate, Institute of Metabolism and Systems Research, University of Birmingham, Prof. Dr. Davide Calebiro
♦ 12/2014--06/2020, PhD, Opioid receptor oligomerization study through fluorescent selective ligands, Institute of Pharmacy and Food Chemistry, University of Würzburg, Germany, Prof. Dr. Michael Decker
♦ October 2012 -November 2014, M.Res, Alchemical calculations of binding free energies and measurements of binding affinities of aminoadamantane ligands against the TM pore of the Influenza A M2 protein. Application on in silico design and synthesis of effective aminoadamantane derivatives, Laboratory of Medicinal and Computational Chemistry, Faculty of Pharmacy, University of Athens, Greece, Prof. Dr. Antonios Kolocouris
♦ October 2005-December 2011, MPharm,
Email: drakopoulosantonis@gmail.com
Skills: computational drug design, ligand synthesis, synthesis of ligand-fluorescence probes, one-molecule microscopy studies of receptor dimerization
Education:
Skills: Bioconjugates, solid phase peptide synthesis, organic synthesis, GPCRs
November 2019-November 2021, post-doc researcher: Computational mechanistic organic chemistry. DFT calculations of gold -catalyzed reaction mechanisms (Lab of Medicinal Chemistry, Department of Pharmacy, NKUA).
2016-2018, post-doc researcher: Molecular dynamics simulations of flexible macromolecules in electrostatic field (Department of Chemistry, NKUA).
Education:
2016 PhD: Molecular dynamics simulations of flexible macromolecules in electrostatic field (Department of Chemistry, NKUA).
2008 MRes: Thermodynamic properties and interactions of amphiphile molecules in aqueous amino acids solutions (Department of Chemistry, NKUA).
Skills: MD simulations, Computational mechanistic organic chemistry – DFT calculations in gold catalyzed reactions.
Email: iraklis.litinas@gmail.com
